Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T20401 | Target Info | |||
| Target Name | Carbonic anhydrase II (CA-II) | ||||
| Synonyms | Carbonic anhydrase C; Carbonic anhydrase 2; Carbonate dehydratase II; CAC | ||||
| Target Type | Successful Target | ||||
| Gene Name | CA2 | ||||
| Biochemical Class | Alpha-carbonic anhydrase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Deuterium Oxide | Ligand Info | |||
| Canonical SMILES | O | ||||
| InChI | 1S/H2O/h1H2/i/hD2 | ||||
| InChIKey | XLYOFNOQVPJJNP-ZSJDYOACSA-N | ||||
| PubChem Compound ID | 24602 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6GCY Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex) | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHSFQVTFDD72 SQDKAVLKGG82 PLDGTYRLLQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTEGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 AECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
|||||
|
|
HIS3
2.235
HIS4
2.991
TRP5
2.611
GLY6
2.628
TYR7
1.849
GLY8
2.377
LYS9
1.820
HIS10
1.947
ASN11
2.440
GLY12
2.381
PRO13
2.375
GLU14
1.919
HIS15
2.368
TRP16
2.608
HIS17
2.178
LYS18
1.863
ASP19
2.160
PHE20
2.449
PRO21
2.304
ILE22
2.313
ALA23
1.999
LYS24
2.104
GLY25
1.848
GLU26
2.090
ARG27
2.308
GLN28
2.129
PRO30
3.502
VAL31
2.880
ASP32
1.744
ILE33
2.785
ASP34
2.089
THR35
2.027
HIS36
1.692
THR37
2.115
ALA38
2.353
LYS39
2.489
TYR40
2.163
ASP41
2.233
PRO42
2.744
SER43
4.199
LEU44
2.329
LYS45
2.768
PRO46
2.500
LEU47
2.263
SER48
2.267
VAL49
2.374
SER50
2.270
TYR51
1.849
ASP52
2.594
GLN53
1.975
ALA54
2.216
THR55
2.069
SER56
2.091
LEU57
2.516
ARG58
2.796
LEU60
3.281
ASN61
4.196
ASN62
2.541
GLY63
2.014
HIS64
1.947
SER65
2.412
GLN67
1.972
THR69
2.844
PHE70
2.709
ASP71
2.056
ASP72
2.209
SER73
1.675
GLN74
2.594
ASP75
1.984
LYS76
1.918
ALA77
2.099
VAL78
2.618
LEU79
3.040
LYS80
2.907
GLY81
1.962
GLY82
2.204
PRO83
3.007
LEU84
2.065
ASP85
2.139
GLY86
1.995
THR87
2.039
TYR88
1.659
ARG89
2.474
LEU90
1.979
LEU91
2.269
GLN92
2.387
HIS94
3.365
PHE95
4.942
HIS96
3.098
TRP97
3.320
GLY98
2.100
SER99
2.871
LEU100
2.204
ASP101
1.858
GLY102
2.240
GLN103
2.277
GLY104
2.021
SER105
1.929
GLU106
1.815
HIS107
4.232
THR108
2.442
VAL109
2.188
ASP110
2.251
LYS111
2.114
LYS112
2.240
LYS113
2.135
TYR114
2.082
ALA115
1.927
ALA116
3.950
TRP123
2.957
ASN124
1.790
THR125
1.900
LYS126
1.834
TYR127
2.575
GLY128
1.893
ASP129
2.156
VAL130
2.250
GLY131
2.041
LYS132
1.849
ALA133
3.919
VAL134
2.378
GLN135
1.945
GLN136
1.688
PRO137
2.491
ASP138
2.317
GLY139
3.339
LEU140
1.928
ALA141
3.638
GLY144
3.865
ILE145
2.633
PHE146
1.954
LEU147
4.640
LYS148
2.545
VAL149
2.034
GLY150
2.164
SER151
2.165
ALA152
2.089
LYS153
2.269
PRO154
2.444
GLY155
2.163
LEU156
3.459
GLN157
2.515
LYS158
2.096
VAL159
4.329
VAL160
2.540
ASP161
2.178
VAL162
2.306
LEU163
2.867
ASP164
2.565
SER165
2.830
ILE166
3.636
LYS167
2.172
THR168
1.802
GLU169
1.886
GLY170
1.968
LYS171
2.269
SER172
2.273
ALA173
2.836
ASP174
2.120
PHE175
2.893
THR176
2.153
ASN177
1.996
PHE178
1.931
ASP179
2.169
PRO180
3.088
ARG181
2.609
GLY182
2.161
LEU183
3.662
LEU184
1.959
PRO185
2.761
GLU186
2.498
SER187
2.082
LEU188
1.992
ASP189
2.027
TYR190
2.475
TRP191
2.209
THR192
2.173
TYR193
2.692
PRO194
2.599
GLY195
4.451
LEU197
2.955
THR198
2.038
THR199
1.841
PRO200
1.640
PRO201
2.611
LEU202
4.349
ALA203
2.706
GLU204
1.833
CYS205
2.972
VAL206
3.557
THR207
1.944
TRP208
4.420
VAL210
4.102
LEU211
2.036
LYS212
1.976
GLU213
2.082
PRO214
2.136
ILE215
2.268
SER216
2.167
VAL217
3.910
SER218
1.998
SER219
2.088
GLU220
1.934
GLN221
3.314
VAL222
3.632
LEU223
2.520
LYS224
1.471
PHE225
4.789
ARG226
1.958
LYS227
2.138
LEU228
3.007
ASN229
3.158
PHE230
2.693
ASN231
2.621
GLY232
3.010
GLU233
2.114
GLY234
2.269
GLU235
2.903
PRO236
2.315
GLU237
2.224
GLU238
2.304
LEU239
2.107
MET240
4.259
VAL241
2.095
ASP242
2.050
ASN243
2.622
TRP244
2.612
ARG245
2.050
PRO246
2.519
ALA247
2.202
GLN248
1.946
PRO249
2.392
LEU250
2.201
LYS251
2.100
ASN252
2.382
ARG253
2.439
GLN254
2.100
ILE255
2.201
LYS256
2.420
ALA257
2.731
SER258
2.330
PHE259
2.127
LYS260
2.220
|
|||||
| PDB ID: 6FJJ Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin). | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHSFQVTFDD72 SQDKAVLKGG82 PLDGTYRLLQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTEGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 AECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
|||||
|
|
HIS3
3.883
HIS4
3.650
TRP5
2.503
GLY6
2.872
TYR7
1.816
GLY8
2.112
LYS9
1.795
HIS10
2.003
ASN11
2.240
GLY12
2.670
PRO13
2.035
GLU14
1.763
HIS15
2.217
TRP16
2.739
HIS17
1.939
LYS18
1.897
ASP19
1.837
PHE20
2.471
PRO21
2.265
ILE22
2.239
ALA23
1.816
LYS24
2.232
GLY25
1.959
GLU26
1.986
ARG27
2.719
GLN28
3.002
PRO30
3.611
VAL31
3.574
ASP32
1.906
ILE33
3.333
ASP34
1.702
THR35
1.713
HIS36
1.659
THR37
1.806
ALA38
1.999
LYS39
2.566
TYR40
2.047
ASP41
2.158
PRO42
2.516
SER43
4.203
LEU44
1.877
LYS45
2.330
PRO46
2.544
LEU47
1.935
SER48
1.927
VAL49
1.785
SER50
1.628
TYR51
2.150
ASP52
2.653
GLN53
2.020
ALA54
1.842
THR55
2.070
SER56
2.024
LEU57
1.958
ARG58
3.039
ILE59
4.773
LEU60
3.736
ASN61
4.231
ASN62
2.356
GLY63
1.974
HIS64
1.970
SER65
2.593
GLN67
1.990
THR69
3.744
PHE70
1.938
ASP71
2.125
ASP72
1.742
SER73
1.729
GLN74
2.656
ASP75
1.798
LYS76
1.609
ALA77
1.849
VAL78
2.662
LEU79
3.189
LYS80
2.918
GLY81
2.119
GLY82
1.739
PRO83
3.049
LEU84
1.970
ASP85
2.019
GLY86
1.980
THR87
2.108
TYR88
1.935
ARG89
2.836
LEU90
1.882
LEU91
2.568
GLN92
2.427
HIS94
3.447
PHE95
4.899
HIS96
3.125
TRP97
3.261
GLY98
2.274
SER99
3.163
LEU100
2.365
ASP101
1.707
GLY102
1.856
GLN103
2.123
GLY104
2.011
SER105
1.776
GLU106
1.830
HIS107
4.007
THR108
2.056
VAL109
2.098
ASP110
1.707
LYS111
2.047
LYS112
1.777
LYS113
2.073
TYR114
1.668
ALA115
2.032
ALA116
3.866
VAL121
4.883
TRP123
2.915
ASN124
2.096
THR125
1.745
LYS126
2.505
TYR127
3.118
GLY128
1.844
ASP129
2.276
VAL130
2.305
GLY131
2.142
LYS132
1.860
ALA133
3.745
VAL134
1.987
GLN135
2.072
GLN136
1.693
PRO137
2.827
ASP138
1.879
GLY139
3.830
LEU140
2.017
ALA141
3.777
GLY144
3.945
ILE145
2.625
PHE146
1.993
LEU147
4.761
LYS148
2.982
VAL149
2.144
GLY150
1.963
SER151
2.158
ALA152
2.086
LYS153
2.378
PRO154
2.040
GLY155
2.125
LEU156
3.869
GLN157
2.372
LYS158
1.695
VAL159
4.048
VAL160
2.190
ASP161
1.602
VAL162
1.990
LEU163
3.092
ASP164
1.983
SER165
2.082
ILE166
3.372
LYS167
2.115
THR168
1.562
GLU169
1.847
GLY170
2.135
LYS171
2.253
SER172
1.957
ALA173
3.045
ASP174
1.868
PHE175
2.873
THR176
2.107
ASN177
1.711
PHE178
1.971
ASP179
2.008
PRO180
2.903
ARG181
2.431
GLY182
2.025
LEU183
3.832
LEU184
1.777
PRO185
3.073
GLU186
2.605
SER187
2.055
LEU188
2.054
ASP189
1.987
TYR190
2.684
TRP191
2.149
THR192
2.075
TYR193
2.209
PRO194
2.901
GLY195
4.353
LEU197
3.330
THR198
2.057
THR199
1.728
PRO200
1.696
PRO201
1.923
LEU202
3.866
ALA203
2.660
GLU204
1.793
CYS205
2.640
VAL206
3.538
THR207
1.723
TRP208
4.258
VAL210
4.289
LEU211
2.007
LYS212
2.020
GLU213
1.648
PRO214
2.029
ILE215
2.279
SER216
2.188
VAL217
4.131
SER218
1.656
SER219
2.207
GLU220
2.578
GLN221
3.129
VAL222
3.430
LEU223
3.364
LYS224
2.059
PHE225
4.343
ARG226
1.933
LYS227
2.092
LEU228
3.693
ASN229
2.804
PHE230
2.013
ASN231
2.297
GLY232
2.906
GLU233
2.106
GLU235
2.941
PRO236
1.701
GLU237
2.021
GLU238
2.900
LEU239
2.021
MET240
4.225
VAL241
2.576
ASP242
2.007
ASN243
2.819
TRP244
2.055
ARG245
2.766
PRO246
3.040
ALA247
2.285
GLN248
1.845
PRO249
2.168
LEU250
2.278
LYS251
1.874
ASN252
2.368
ARG253
2.693
GLN254
1.723
ILE255
2.209
LYS256
2.533
ALA257
2.771
SER258
1.756
PHE259
1.959
LYS260
2.706
|
|||||
| PDB ID: 5C8I Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide | ||||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [2] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
|
TRP5
3.463
GLY6
2.841
TYR7
1.729
GLY8
3.325
ASN11
3.456
GLY12
4.810
PRO13
1.685
GLU14
1.889
HIS15
3.512
TRP16
2.501
HIS17
1.994
LYS18
1.894
ASP19
2.091
PHE20
2.796
PRO21
2.679
ILE22
2.146
ALA23
1.941
LYS24
2.182
GLY25
2.389
GLU26
1.984
ARG27
2.139
GLN28
2.025
PRO30
3.550
VAL31
2.748
ASP32
1.830
ILE33
3.145
ASP34
2.146
THR35
2.356
HIS36
4.359
THR37
1.833
ALA38
2.689
LYS39
4.267
TYR40
3.350
ASP41
2.031
PRO42
2.498
SER43
3.690
LEU44
2.033
LYS45
4.377
PRO46
2.776
LEU47
2.062
SER50
2.689
TYR51
3.615
ASP52
2.453
GLN53
2.043
ALA54
2.178
THR55
1.881
SER56
1.957
LEU57
1.959
ARG58
3.449
LEU60
2.745
ASN62
4.443
GLY63
4.496
HIS64
2.331
ALA65
2.575
PHE66
1.665
ASN67
2.119
GLU69
2.170
PHE70
2.722
ASP71
2.093
ASP72
2.444
SER73
4.974
GLN74
3.784
ASP75
4.689
LYS76
2.172
ALA77
2.330
VAL78
3.614
LYS80
2.252
GLY81
1.920
PRO83
3.043
LEU84
2.445
ASP85
1.925
GLY86
2.219
THR87
4.230
TYR88
1.999
ARG89
3.545
LEU90
1.781
ILE91
2.912
GLN92
3.304
PHE93
4.718
HIS94
2.173
PHE95
1.900
HIS96
2.991
TRP97
2.563
GLY98
2.311
SER99
2.987
LEU100
2.019
ASP101
1.924
GLY102
3.933
GLN103
2.336
GLY104
1.923
SER105
1.892
GLU106
1.787
HIS107
3.862
THR108
2.257
VAL109
2.197
ASP110
2.486
LYS111
2.053
LYS112
2.199
LYS113
1.952
TYR114
2.128
ALA115
2.039
ALA116
4.056
TRP123
2.600
ASN124
3.267
LYS127
4.808
TYR128
1.737
GLY129
3.187
ASP130
2.718
PHE131
2.115
GLY132
4.378
LYS133
2.467
VAL135
2.045
GLN136
2.526
GLN137
3.485
PRO138
2.821
ASP139
2.393
GLY140
3.482
LEU141
2.156
ALA142
3.888
GLY145
4.004
ILE146
2.209
PHE147
1.865
VAL150
3.234
GLY151
1.949
SER152
2.872
ALA153
2.011
LYS154
2.183
PRO155
1.840
GLY156
2.058
LEU157
3.698
GLN158
2.306
LYS159
2.208
VAL160
4.690
VAL161
4.860
ASP162
2.034
LEU164
2.831
ASP165
2.581
SER166
3.102
ILE167
3.809
LYS168
1.784
THR169
1.838
LYS170
1.951
GLY171
1.883
LYS172
2.358
SER173
2.133
ASP175
2.395
PHE176
2.851
THR177
2.114
ASN178
2.948
PHE179
1.845
ASP180
1.872
PRO181
3.587
ARG182
2.019
GLY183
2.361
LEU184
3.399
LEU185
2.070
PRO186
3.089
SER188
1.989
LEU189
2.175
ASP190
2.026
TYR191
2.333
TRP192
1.870
THR193
2.658
TYR194
2.239
PRO195
3.207
LEU198
3.443
THR199
1.940
THR200
2.175
PRO201
4.453
PRO202
1.808
LEU203
3.753
LEU204
2.235
GLU205
1.825
CYS206
2.316
VAL207
3.506
THR208
2.689
TRP209
4.655
VAL211
4.004
LEU212
1.727
LYS213
1.772
GLU214
1.968
PRO215
2.477
ILE216
2.020
SER217
2.235
VAL218
4.159
SER219
1.223
SER220
2.198
GLU221
2.113
GLN222
2.706
VAL223
2.432
LEU224
2.839
LYS225
2.332
PHE226
4.414
ARG227
1.858
LYS228
1.774
LEU229
2.860
ASN230
3.210
PHE231
2.771
ASN232
2.247
GLY233
2.827
GLU234
2.074
GLU236
3.159
PRO237
1.768
GLU238
1.770
GLU239
2.806
LEU240
2.211
MET241
4.396
VAL242
2.211
ASP243
1.967
ASN244
3.374
TRP245
2.689
ARG246
2.125
PRO247
2.702
ALA248
2.058
GLN249
1.859
PRO250
2.497
LEU251
2.176
LYS252
2.245
ASN253
2.152
ARG254
2.085
GLN255
2.925
ILE256
2.043
LYS257
4.463
ALA258
3.099
SER259
3.228
PHE260
2.078
LYS261
2.598
|
|||||
| PDB ID: 6BC9 Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [3] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DOD or .DOD2 or .DOD3 or :3DOD;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:7 or .A:8 or .A:9 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:22 or .A:23 or .A:24 or .A:25 or .A:26 or .A:27 or .A:28 or .A:30 or .A:31 or .A:32 or .A:33 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:56 or .A:57 or .A:58 or .A:60 or .A:62 or .A:63 or .A:64 or .A:65 or .A:66 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:73 or .A:74 or .A:75 or .A:76 or .A:77 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:89 or .A:90 or .A:91 or .A:92 or .A:93 or .A:94 or .A:95 or .A:96 or .A:97 or .A:98 or .A:99 or .A:100 or .A:101 or .A:102 or .A:103 or .A:104 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:115 or .A:116 or .A:123 or .A:124 or .A:125 or .A:127 or .A:129 or .A:130 or .A:131 or .A:132 or .A:133 or .A:135 or .A:136 or .A:137 or .A:138 or .A:139 or .A:140 or .A:141 or .A:142 or .A:145 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:151 or .A:152 or .A:153 or .A:154 or .A:155 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:165 or .A:166 or .A:167 or .A:168 or .A:169 or .A:170 or .A:171 or .A:172 or .A:173 or .A:174 or .A:175 or .A:176 or .A:177 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:185 or .A:186 or .A:187 or .A:188 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:207 or .A:208 or .A:209 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:224 or .A:225 or .A:226 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:246 or .A:247 or .A:248 or .A:249 or .A:250 or .A:251 or .A:252 or .A:253 or .A:254 or .A:255 or .A:256 or .A:257 or .A:258 or .A:259 or .A:260 or .A:261; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.766
TRP5
2.956
GLY6
2.985
TYR7
1.722
GLY8
3.405
LYS9
4.238
ASN11
3.825
GLY12
2.124
PRO13
1.788
GLU14
1.776
HIS15
3.117
TRP16
2.762
HIS17
1.836
LYS18
1.846
ASP19
1.765
PHE20
2.410
PRO21
1.953
ILE22
2.216
ALA23
1.802
LYS24
2.042
GLY25
1.823
GLU26
1.951
ARG27
2.194
GLN28
2.100
PRO30
3.413
VAL31
2.963
ASP32
1.705
ILE33
2.780
ASP34
1.980
THR35
1.763
HIS36
2.150
THR37
2.432
ALA38
2.101
LYS39
3.656
TYR40
3.207
ASP41
1.839
PRO42
2.428
SER43
3.761
LEU44
1.933
LYS45
2.963
PRO46
1.936
LEU47
2.015
SER48
1.836
VAL49
3.127
SER50
1.884
TYR51
3.346
ASP52
2.202
GLN53
2.062
ALA54
1.920
THR55
1.920
SER56
1.692
LEU57
1.743
ARG58
3.592
LEU60
3.053
ASN62
2.023
GLY63
2.116
HIS64
2.134
ALA65
2.345
PHE66
1.621
ASN67
1.862
GLU69
1.735
PHE70
2.706
ASP71
2.071
ASP72
1.714
SER73
4.301
GLN74
1.751
ASP75
2.373
LYS76
1.623
ALA77
2.280
VAL78
2.806
LEU79
3.128
LYS80
2.701
GLY81
2.038
GLY82
3.093
PRO83
2.737
LEU84
2.222
ASP85
2.068
GLY86
2.158
THR87
1.974
TYR88
1.797
ARG89
2.205
LEU90
1.758
ILE91
2.629
GLN92
2.311
PHE93
4.733
HIS94
2.618
PHE95
1.884
HIS96
2.778
TRP97
2.508
GLY98
2.233
SER99
2.985
LEU100
2.281
ASP101
1.741
GLY102
1.775
GLN103
2.058
GLY104
1.936
SER105
2.128
GLU106
1.694
HIS107
3.985
THR108
2.035
VAL109
2.112
ASP110
1.641
LYS111
1.961
LYS112
1.982
LYS113
1.698
TYR114
2.071
ALA115
1.881
ALA116
3.691
TRP123
2.916
ASN124
2.281
THR125
2.459
LYS127
2.436
GLY129
1.850
ASP130
2.031
PHE131
1.957
GLY132
2.255
LYS133
4.171
VAL135
1.971
GLN136
2.092
GLN137
3.237
PRO138
2.731
ASP139
2.475
GLY140
3.853
LEU141
1.958
ALA142
3.584
GLY145
4.254
ILE146
2.565
PHE147
1.868
LEU148
4.521
LYS149
2.612
VAL150
2.321
GLY151
2.135
SER152
2.562
ALA153
1.842
LYS154
1.945
PRO155
2.671
GLY156
2.051
LEU157
4.007
GLN158
2.552
LYS159
2.027
VAL160
4.188
VAL161
4.509
ASP162
1.815
VAL163
2.738
LEU164
3.065
ASP165
1.943
SER166
2.983
ILE167
3.648
LYS168
2.077
THR169
1.865
LYS170
1.834
GLY171
2.223
LYS172
2.909
SER173
4.138
ALA174
2.514
ASP175
1.911
PHE176
2.767
THR177
2.035
ASN178
1.913
PHE179
1.965
ASP180
1.963
PRO181
3.677
ARG182
2.111
GLY183
2.254
LEU184
3.550
LEU185
2.256
PRO186
2.844
GLU187
2.694
SER188
1.924
LEU189
1.938
ASP190
1.869
TYR191
2.986
TRP192
2.050
THR193
2.061
TYR194
2.738
PRO195
2.515
THR199
2.016
THR200
2.430
PRO201
2.058
PRO202
1.865
LEU203
3.751
LEU204
2.381
GLU205
1.640
CYS206
2.356
VAL207
3.670
THR208
1.845
TRP209
4.062
VAL211
4.145
LEU212
1.881
LYS213
1.761
GLU214
1.811
PRO215
2.192
ILE216
2.344
SER217
1.977
VAL218
4.299
SER219
1.714
SER220
1.975
GLU221
2.611
GLN222
3.570
VAL223
3.152
LEU224
3.029
LYS225
1.863
PHE226
3.968
ARG227
1.884
LYS228
1.550
LEU229
3.555
ASN230
3.406
PHE231
2.681
ASN232
2.100
GLY233
2.999
GLU234
2.039
GLY235
2.571
GLU236
3.321
PRO237
1.681
GLU238
1.878
GLU239
2.230
LEU240
1.732
MET241
3.926
VAL242
1.976
ASP243
1.894
ASN244
2.691
TRP245
1.865
ARG246
2.017
PRO247
2.625
ALA248
2.082
GLN249
1.815
PRO250
2.011
LEU251
2.086
LYS252
2.030
ASN253
2.147
ARG254
2.420
GLN255
2.032
ILE256
1.982
LYS257
3.863
ALA258
2.922
SER259
2.371
PHE260
2.327
LYS261
2.691
|
|||||
| PDB ID: 6BCC Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [3] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DOD or .DOD2 or .DOD3 or :3DOD;style chemicals stick;color identity;select .A:5 or .A:6 or .A:7 or .A:8 or .A:11 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:22 or .A:23 or .A:24 or .A:25 or .A:26 or .A:27 or .A:28 or .A:30 or .A:31 or .A:32 or .A:33 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:40 or .A:45 or .A:46 or .A:47 or .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:56 or .A:57 or .A:58 or .A:60 or .A:62 or .A:63 or .A:64 or .A:65 or .A:66 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:73 or .A:74 or .A:75 or .A:76 or .A:77 or .A:78 or .A:79 or .A:80 or .A:81 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:89 or .A:90 or .A:91 or .A:92 or .A:93 or .A:94 or .A:95 or .A:96 or .A:97 or .A:98 or .A:99 or .A:100 or .A:101 or .A:102 or .A:103 or .A:104 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:115 or .A:116 or .A:121 or .A:123 or .A:124 or .A:125 or .A:127 or .A:128 or .A:129 or .A:130 or .A:131 or .A:132 or .A:135 or .A:136 or .A:137 or .A:138 or .A:139 or .A:140 or .A:141 or .A:142 or .A:145 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:151 or .A:152 or .A:153 or .A:154 or .A:155 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:161 or .A:162 or .A:164 or .A:165 or .A:166 or .A:167 or .A:168 or .A:169 or .A:170 or .A:171 or .A:172 or .A:173 or .A:174 or .A:175 or .A:176 or .A:177 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:186 or .A:187 or .A:188 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:198 or .A:199 or .A:200 or .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:207 or .A:208 or .A:209 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:225 or .A:227 or .A:229 or .A:231 or .A:232 or .A:233 or .A:234 or .A:239 or .A:244 or .A:245 or .A:246 or .A:247 or .A:248 or .A:249 or .A:250 or .A:251 or .A:252 or .A:254 or .A:255 or .A:256 or .A:257 or .A:258 or .A:259 or .A:260 or .A:261; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
4.117
GLY6
2.986
TYR7
1.712
GLY8
3.452
ASN11
3.916
PRO13
1.859
GLU14
1.701
HIS15
3.687
TRP16
2.833
HIS17
2.087
LYS18
1.883
ASP19
1.882
PHE20
2.826
PRO21
2.496
ILE22
2.163
ALA23
1.862
LYS24
2.281
GLY25
2.345
GLU26
1.957
ARG27
3.557
GLN28
2.107
PRO30
3.799
VAL31
2.637
ASP32
1.821
ILE33
2.430
ASP34
1.970
THR35
2.232
HIS36
1.775
THR37
2.369
ALA38
2.623
LYS39
4.744
TYR40
3.249
LYS45
4.769
PRO46
2.716
LEU47
1.985
SER50
2.562
TYR51
3.741
ASP52
2.671
GLN53
2.044
ALA54
2.311
THR55
1.896
SER56
1.990
LEU57
4.040
ARG58
3.873
LEU60
3.086
ASN62
2.203
GLY63
4.470
HIS64
2.150
ALA65
2.545
PHE66
1.579
ASN67
1.920
GLU69
2.014
PHE70
2.786
ASP71
1.981
ASP72
2.381
SER73
4.428
GLN74
2.578
ASP75
2.009
LYS76
1.640
ALA77
2.580
VAL78
4.049
LEU79
4.916
LYS80
2.420
GLY81
1.914
PRO83
3.688
LEU84
2.270
ASP85
1.960
GLY86
1.863
THR87
2.147
TYR88
1.884
ARG89
2.547
LEU90
1.712
ILE91
3.403
GLN92
2.127
PHE93
4.660
HIS94
2.494
PHE95
1.837
HIS96
2.764
TRP97
2.514
GLY98
2.248
SER99
4.552
LEU100
2.155
ASP101
1.943
GLY102
1.803
GLN103
2.550
GLY104
1.936
SER105
1.836
GLU106
1.729
HIS107
3.928
THR108
1.972
VAL109
1.993
ASP110
1.535
LYS111
2.007
LYS112
2.203
LYS113
2.062
TYR114
2.045
ALA115
1.613
ALA116
3.545
VAL121
4.737
TRP123
2.835
ASN124
1.782
THR125
2.380
LYS127
2.445
TYR128
4.964
GLY129
1.932
ASP130
3.011
PHE131
2.159
GLY132
4.290
VAL135
1.967
GLN136
2.187
GLN137
3.646
PRO138
4.270
ASP139
2.485
GLY140
3.536
LEU141
1.930
ALA142
3.740
GLY145
4.164
ILE146
2.614
PHE147
1.891
LEU148
4.148
LYS149
2.531
VAL150
1.952
GLY151
1.828
SER152
3.195
ALA153
1.975
LYS154
2.289
PRO155
1.793
GLY156
1.861
LEU157
3.680
GLN158
2.377
LYS159
1.982
VAL160
4.449
VAL161
4.768
ASP162
1.943
LEU164
4.781
ASP165
1.881
SER166
2.730
ILE167
3.741
LYS168
2.226
THR169
1.786
LYS170
1.813
GLY171
3.818
LYS172
2.025
SER173
4.749
ALA174
2.759
ASP175
1.889
PHE176
2.917
THR177
2.038
ASN178
1.831
PHE179
1.835
ASP180
1.957
PRO181
3.732
ARG182
4.450
GLY183
2.187
LEU184
3.061
PRO186
2.938
GLU187
2.825
SER188
1.968
LEU189
2.060
ASP190
1.941
TYR191
2.320
TRP192
1.974
THR193
2.032
TYR194
2.400
PRO195
2.654
LEU198
4.950
THR199
1.946
THR200
2.298
PRO202
1.881
LEU203
3.765
LEU204
2.278
GLU205
1.706
CYS206
2.734
VAL207
3.749
THR208
1.942
TRP209
4.156
VAL211
3.959
LEU212
1.823
LYS213
2.101
GLU214
1.690
PRO215
1.827
ILE216
2.097
SER217
1.827
VAL218
4.168
SER219
1.813
SER220
2.073
GLU221
2.670
GLN222
3.535
VAL223
3.281
LYS225
3.081
ARG227
1.973
LEU229
4.989
PHE231
2.954
ASN232
4.711
GLY233
2.692
GLU234
1.982
GLU239
4.755
ASN244
2.875
TRP245
2.462
ARG246
2.023
PRO247
2.579
ALA248
2.017
GLN249
1.843
PRO250
2.170
LEU251
1.936
LYS252
2.619
ARG254
2.955
GLN255
2.561
ILE256
1.969
LYS257
4.609
ALA258
2.523
SER259
3.415
PHE260
1.864
LYS261
2.254
|
|||||
| PDB ID: 6BBS Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DOD or .DOD2 or .DOD3 or :3DOD;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:7 or .A:8 or .A:11 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:20 or .A:21 or .A:22 or .A:23 or .A:24 or .A:25 or .A:26 or .A:27 or .A:28 or .A:30 or .A:31 or .A:32 or .A:33 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:47 or .A:48 or .A:49 or .A:50 or .A:53 or .A:54 or .A:55 or .A:56 or .A:57 or .A:62 or .A:63 or .A:64 or .A:65 or .A:66 or .A:67 or .A:70 or .A:71 or .A:72 or .A:74 or .A:75 or .A:76 or .A:77 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:89 or .A:91 or .A:92 or .A:93 or .A:94 or .A:95 or .A:96 or .A:97 or .A:98 or .A:99 or .A:100 or .A:101 or .A:102 or .A:103 or .A:104 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:115 or .A:116 or .A:123 or .A:124 or .A:125 or .A:127 or .A:129 or .A:130 or .A:131 or .A:132 or .A:133 or .A:137 or .A:138 or .A:139 or .A:140 or .A:141 or .A:142 or .A:145 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:151 or .A:152 or .A:153 or .A:154 or .A:155 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:161 or .A:164 or .A:165 or .A:166 or .A:167 or .A:168 or .A:169 or .A:170 or .A:171 or .A:172 or .A:175 or .A:176 or .A:177 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:185 or .A:186 or .A:187 or .A:188 or .A:189 or .A:190 or .A:191 or .A:192 or .A:199 or .A:200 or .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:207 or .A:208 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:225 or .A:226 or .A:227 or .A:228 or .A:229 or .A:231 or .A:233 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:244 or .A:245 or .A:246 or .A:247 or .A:248 or .A:249 or .A:250 or .A:251 or .A:252 or .A:254 or .A:255 or .A:256 or .A:258 or .A:259 or .A:260; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
4.504
TRP5
4.216
GLY6
2.752
TYR7
1.980
GLY8
3.444
ASN11
3.325
PRO13
2.143
GLU14
2.947
HIS15
3.561
TRP16
2.916
HIS17
2.059
LYS18
4.626
PHE20
2.814
PRO21
4.102
ILE22
2.444
ALA23
3.881
LYS24
2.227
GLY25
1.893
GLU26
1.859
ARG27
2.829
GLN28
1.797
PRO30
4.323
VAL31
2.473
ASP32
2.141
ILE33
3.889
ASP34
1.973
THR35
2.686
HIS36
4.860
THR37
2.517
ALA38
2.731
LYS39
4.318
TYR40
3.524
ASP41
2.894
PRO42
3.350
SER43
4.507
LEU44
2.524
LYS45
2.936
PRO46
2.365
LEU47
2.402
SER48
2.530
VAL49
3.350
SER50
2.699
GLN53
2.779
ALA54
1.891
THR55
1.802
SER56
1.868
LEU57
3.918
ASN62
2.263
GLY63
2.906
HIS64
2.166
ALA65
2.525
PHE66
1.777
ASN67
2.234
PHE70
2.855
ASP71
2.404
ASP72
2.276
GLN74
4.172
ASP75
3.809
LYS76
3.011
ALA77
3.857
VAL78
2.295
LEU79
3.716
LYS80
2.449
GLY81
2.971
GLY82
3.913
PRO83
3.733
LEU84
2.930
ASP85
1.823
GLY86
3.145
TYR88
2.305
ARG89
3.827
ILE91
3.420
GLN92
2.316
PHE93
4.878
HIS94
2.772
PHE95
2.152
HIS96
2.253
TRP97
2.840
GLY98
2.191
SER99
4.552
LEU100
1.903
ASP101
1.872
GLY102
2.489
GLN103
2.386
GLY104
1.996
SER105
2.632
GLU106
1.985
HIS107
3.863
THR108
2.261
VAL109
3.077
ASP110
2.144
LYS111
2.333
LYS112
2.354
LYS113
1.925
TYR114
2.172
ALA115
2.473
ALA116
4.528
TRP123
2.772
ASN124
2.578
THR125
4.074
LYS127
2.490
GLY129
2.456
ASP130
2.808
PHE131
2.548
GLY132
4.765
LYS133
1.804
GLN137
4.992
PRO138
2.054
ASP139
2.619
GLY140
3.869
LEU141
2.220
ALA142
3.858
GLY145
4.048
ILE146
2.800
PHE147
2.152
LEU148
4.243
LYS149
2.604
VAL150
1.991
GLY151
2.122
SER152
1.922
ALA153
2.952
LYS154
2.142
PRO155
2.820
GLY156
2.093
LEU157
3.397
GLN158
2.347
LYS159
2.166
VAL160
4.437
VAL161
4.924
LEU164
2.749
ASP165
1.982
SER166
2.590
ILE167
2.971
LYS168
2.242
THR169
1.997
LYS170
1.920
GLY171
4.516
LYS172
3.213
ASP175
3.748
PHE176
2.898
THR177
2.275
ASN178
2.148
PHE179
1.997
ASP180
2.267
PRO181
3.834
ARG182
2.411
GLY183
2.698
LEU184
3.918
LEU185
3.077
PRO186
3.842
GLU187
2.663
SER188
2.851
LEU189
2.307
ASP190
1.861
TYR191
3.301
TRP192
2.108
THR199
2.532
THR200
2.348
PRO202
2.539
LEU203
3.984
LEU204
3.149
GLU205
2.536
CYS206
4.164
VAL207
4.103
THR208
2.321
VAL211
4.161
LEU212
1.969
LYS213
2.235
GLU214
2.020
PRO215
2.779
ILE216
2.842
SER217
2.138
VAL218
4.295
SER219
2.425
SER220
2.585
GLU221
2.093
GLN222
3.292
VAL223
3.909
LYS225
2.993
PHE226
4.972
ARG227
2.180
LYS228
2.644
LEU229
3.922
PHE231
2.383
GLY233
3.794
GLU234
2.258
GLY235
3.147
GLU236
3.143
PRO237
2.700
GLU238
4.643
ASN244
3.250
TRP245
2.619
ARG246
2.220
PRO247
2.369
ALA248
2.455
GLN249
2.185
PRO250
2.837
LEU251
3.064
LYS252
1.859
ARG254
2.418
GLN255
2.547
ILE256
2.237
ALA258
3.371
SER259
3.037
PHE260
3.863
|
|||||
| PDB ID: 4G0C Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding. | ||||||
| Method | Neutron diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DOD or .DOD2 or .DOD3 or :3DOD;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:22 or .A:23 or .A:24 or .A:25 or .A:26 or .A:27 or .A:28 or .A:30 or .A:31 or .A:32 or .A:33 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:62 or .A:63 or .A:64 or .A:65 or .A:66 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:73 or .A:74 or .A:75 or .A:76 or .A:77 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:89 or .A:90 or .A:91 or .A:92 or .A:93 or .A:94 or .A:95 or .A:96 or .A:97 or .A:98 or .A:99 or .A:100 or .A:101 or .A:102 or .A:103 or .A:104 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:115 or .A:116 or .A:123 or .A:124 or .A:125 or .A:127 or .A:128 or .A:129 or .A:130 or .A:131 or .A:132 or .A:133 or .A:135 or .A:136 or .A:137 or .A:138 or .A:139 or .A:140 or .A:141 or .A:142 or .A:145 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:151 or .A:152 or .A:153 or .A:154 or .A:155 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:165 or .A:166 or .A:167 or .A:168 or .A:169 or .A:170 or .A:171 or .A:172 or .A:173 or .A:174 or .A:175 or .A:176 or .A:177 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:186 or .A:187 or .A:188 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:207 or .A:208 or .A:209 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:224 or .A:225 or .A:226 or .A:227 or .A:228 or .A:229 or .A:231 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:239 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:246 or .A:247 or .A:248 or .A:249 or .A:250 or .A:251 or .A:252 or .A:253 or .A:254 or .A:255 or .A:256 or .A:257 or .A:258 or .A:259 or .A:260 or .A:261; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.746
TRP5
2.631
GLY6
2.943
TYR7
1.848
GLY8
2.293
LYS9
3.249
HIS10
2.304
ASN11
2.623
GLY12
2.553
PRO13
1.765
GLU14
1.924
HIS15
2.340
TRP16
2.487
HIS17
2.084
LYS18
1.872
ASP19
1.795
PHE20
2.701
PRO21
2.572
ILE22
1.991
ALA23
1.844
LYS24
1.821
GLY25
1.977
GLU26
1.873
ARG27
3.170
GLN28
2.041
PRO30
3.491
VAL31
2.631
ASP32
1.783
ILE33
2.597
ASP34
2.037
THR35
1.868
HIS36
2.180
THR37
1.815
ALA38
1.696
LYS39
2.571
TYR40
2.219
ASP41
1.927
PRO42
2.404
SER43
3.706
LEU44
1.878
LYS45
3.710
PRO46
1.989
LEU47
2.015
SER48
2.028
VAL49
3.411
SER50
1.838
TYR51
1.816
ASP52
2.298
GLN53
1.951
ALA54
2.111
THR55
1.897
SER56
1.762
LEU57
1.836
ARG58
3.433
ILE59
4.739
LEU60
2.973
ASN62
2.358
GLY63
2.090
HIS64
2.009
ALA65
2.341
PHE66
1.664
ASN67
1.895
GLU69
1.714
PHE70
1.919
ASP71
1.943
ASP72
2.492
SER73
2.955
GLN74
1.753
ASP75
1.916
LYS76
1.624
ALA77
2.045
VAL78
2.386
LEU79
3.137
LYS80
2.869
GLY81
2.013
GLY82
3.324
PRO83
3.562
LEU84
2.257
ASP85
2.002
GLY86
1.876
THR87
2.071
TYR88
1.712
ARG89
2.465
LEU90
1.658
ILE91
3.132
GLN92
3.031
PHE93
4.835
HIS94
2.744
PHE95
1.910
HIS96
2.837
TRP97
2.435
GLY98
2.075
SER99
4.384
LEU100
1.902
ASP101
1.751
GLY102
1.753
GLN103
2.149
GLY104
2.009
SER105
1.734
GLU106
1.711
HIS107
3.803
THR108
1.920
VAL109
3.020
ASP110
2.472
LYS111
1.863
LYS112
1.754
LYS113
1.766
TYR114
2.140
ALA115
1.759
ALA116
3.800
TRP123
2.853
ASN124
1.869
THR125
1.797
LYS127
2.314
TYR128
4.680
GLY129
1.718
ASP130
2.629
PHE131
2.163
GLY132
1.661
LYS133
3.049
VAL135
1.820
GLN136
2.232
GLN137
3.588
PRO138
2.745
ASP139
2.052
GLY140
3.100
LEU141
2.800
ALA142
3.919
GLY145
3.967
ILE146
2.569
PHE147
1.847
LEU148
4.576
LYS149
2.569
VAL150
2.020
GLY151
1.773
SER152
2.513
ALA153
2.043
LYS154
2.122
PRO155
1.928
GLY156
1.991
LEU157
3.253
GLN158
2.349
LYS159
2.016
VAL160
4.541
VAL161
4.204
ASP162
1.740
VAL163
2.330
LEU164
2.287
ASP165
1.895
SER166
2.083
ILE167
3.399
LYS168
2.301
THR169
1.770
LYS170
1.785
GLY171
3.075
LYS172
1.956
SER173
2.938
ALA174
2.532
ASP175
1.725
PHE176
2.837
THR177
2.103
ASN178
1.816
PHE179
2.019
ASP180
1.893
PRO181
2.687
ARG182
2.913
GLY183
1.903
LEU184
3.642
PRO186
2.768
GLU187
2.643
SER188
1.940
LEU189
1.944
ASP190
1.913
TYR191
2.788
TRP192
2.033
THR193
2.060
TYR194
2.051
PRO195
2.442
LEU198
2.718
THR199
1.943
THR200
2.201
PRO201
1.743
PRO202
1.821
LEU203
3.821
LEU204
2.203
GLU205
1.734
CYS206
2.458
VAL207
4.498
THR208
2.156
TRP209
4.451
VAL211
3.812
LEU212
1.868
LYS213
1.658
GLU214
1.715
PRO215
1.874
ILE216
2.124
SER217
1.964
VAL218
3.876
SER219
2.379
SER220
2.089
GLU221
2.583
GLN222
3.064
VAL223
3.553
LEU224
4.686
LYS225
1.882
PHE226
4.060
ARG227
1.909
LYS228
2.145
LEU229
2.579
PHE231
2.095
ASN232
3.397
GLY233
2.809
GLU234
1.899
GLY235
2.870
GLU236
4.460
GLU239
2.362
LEU240
1.756
MET241
3.944
VAL242
2.416
ASP243
2.086
ASN244
2.808
TRP245
1.962
ARG246
2.010
PRO247
2.821
ALA248
1.971
GLN249
1.739
PRO250
2.068
LEU251
1.964
LYS252
2.004
ASN253
2.390
ARG254
2.603
GLN255
2.017
ILE256
2.013
LYS257
2.535
ALA258
2.772
SER259
3.232
PHE260
1.879
LYS261
2.190
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative. J Struct Biol. 2019 Feb 1;205(2):147-154. | ||||
| REF 2 | Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug. IUCrJ. 2016 Jul 22;3(Pt 5):319-325. | ||||
| REF 3 | To Be or Not to Be Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure. 2018 Mar 6;26(3):383-390.e3. | ||||
| REF 4 | Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding. J Am Chem Soc. 2012 Sep 12;134(36):14726-9. | ||||
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