Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T43332 Target Info
Target Name Coagulation factor VII (F7)
Synonyms Serum prothrombin conversion accelerator; SPCA; Proconvertin; Eptacog alfa
Target Type Successful Target
Gene Name F7
Biochemical Class Peptidase
UniProt ID
FA7_HUMAN
Ligand General Information  Top
Ligand Name Gamma-Carboxy-Glutamic Acid Ligand Info
Canonical SMILES C(C(C(=O)O)C(=O)O)C(C(=O)O)N
InChI 1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
InChIKey UHBYWPGGCSDKFX-VKHMYHEASA-N
PubChem Compound ID 104625
Drug Binding Sites of Target  Top
PDB ID: 2C4F      crystal structure of factor VII.stf complexed with pd0297121
Method X-ray diffraction Resolution 1.72 Å Mutation No [1]
PDB Sequence
FLLRPGSLRC
17
KQCSFARIFK
32
DARTKLFWIS
43
YSDGDQCASS
53
PCQNGGSCKD
63

QLQSYICFCL
73
PAFEGRNCET
83
HKDDQLICVN
93
ENGGCEQYCS
103
DHTGTKRSCR
113

CHEGYSLLAD
123
GVSCTPTVEY
133
PCGKIPILE
Residue
Distance (Å)
PHE4
3.053
LEU5
1.340
LEU8
1.379
ARG9
3.236
GLY11
3.357
SER12
2.732
LEU13
1.345
ARG15
1.345
CYS17
1.383
LYS18
1.336
GLN21
1.384
CYS22
3.277
SER23
2.895
Residue
Distance (Å)
PHE24
1.343
ALA27
1.374
ARG28
1.344
ILE30
1.379
PHE31
3.764
LYS32
3.540
ASP33
2.740
ALA34
1.338
ARG36
1.379
THR37
3.280
LYS38
2.763
LEU39
3.029
TYR44
3.663
PDB ID: 3TH2      Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
Method X-ray diffraction Resolution 1.72 Å Mutation No [2]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Residue
Distance (Å)
ALA1
2.478
ASN2
3.089
ALA3
2.863
PHE4
3.085
LEU5
1.330
LEU8
1.337
ARG9
3.545
PRO10
4.782
GLY11
3.052
SER12
3.014
LEU13
1.474
ARG15
1.319
CYS17
1.330
LYS18
1.336
GLN21
1.311
Residue
Distance (Å)
CYS22
3.213
SER23
3.073
PHE24
1.335
ALA27
1.329
ARG28
1.315
ILE30
1.322
PHE31
3.609
LYS32
3.700
ASP33
3.183
ALA34
1.327
ARG36
1.358
THR37
3.285
LYS38
3.302
LEU39
2.942
TYR44
3.431
PDB ID: 2A2Q      Complex of Active-site Inhibited Human Coagulation Factor VIIa with Human Soluble Tissue Factor in the Presence of Ca2+, Mg2+, Na+, and Zn2+
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [3]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Residue
Distance (Å)
ALA1
3.157
ASN2
2.880
ALA3
2.569
PHE4
2.589
LEU5
1.330
LEU8
1.328
ARG9
2.837
PRO10
4.714
GLY11
3.298
SER12
2.798
LEU13
1.329
ARG15
1.327
CYS17
1.337
LYS18
1.331
GLN21
1.328
CYS22
3.310
Residue
Distance (Å)
SER23
3.145
PHE24
1.338
ALA27
1.336
ARG28
1.326
ILE30
1.332
PHE31
3.648
LYS32
3.739
ASP33
3.015
ALA34
1.325
ARG36
1.332
THR37
3.288
LYS38
3.082
LEU39
2.918
PHE40
4.980
TYR44
3.478
PDB ID: 3TH4      Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
Method X-ray diffraction Resolution 1.80 Å Mutation No [4]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:44; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.650
ASN2
2.935
ALA3
2.950
PHE4
2.899
LEU5
1.341
LEU8
1.320
ARG9
2.925
PRO10
4.783
GLY11
3.045
SER12
2.746
LEU13
1.325
ARG15
1.321
CYS17
1.323
LYS18
1.328
GLN21
1.336
Residue
Distance (Å)
CYS22
3.098
SER23
2.891
PHE24
1.335
ALA27
1.341
ARG28
1.283
ILE30
1.372
PHE31
3.831
LYS32
3.205
ASP33
3.022
ALA34
1.339
ARG36
1.461
THR37
3.303
LYS38
3.398
LEU39
2.947
TYR44
3.503
PDB ID: 4IBL      Rubidium Sites in Blood Coagulation Factor VIIa
Method X-ray diffraction Resolution 1.80 Å Mutation No [5]
PDB Sequence
AFLLRPGSLR
15
CKQCSFARIF
31
KDARTKLFWI
42
SYSDGDQCAS
52
SPCQNGGSCK
62

DQLQSYICFC
72
LPAFEGRNCE
82
THKDDQLICV
92
NENGGCEQYC
102
SDHTGTKRSC
112

RCHEGYSLLA
122
DGVSCTPTVE
132
YPCGKIPILE
142
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:44; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA3
2.905
PHE4
3.041
LEU5
1.337
LEU8
1.345
ARG9
3.502
PRO10
4.809
GLY11
3.075
SER12
2.795
LEU13
1.349
ARG15
1.338
CYS17
1.341
LYS18
1.334
GLN21
1.328
CYS22
3.167
Residue
Distance (Å)
SER23
2.980
PHE24
1.332
ALA27
1.352
ARG28
1.332
ILE30
1.330
PHE31
3.637
LYS32
3.685
ASP33
3.212
ALA34
1.331
ARG36
1.348
THR37
3.275
LYS38
3.405
LEU39
2.923
TYR44
3.468
PDB ID: 2AER      Crystal Structure of Benzamidine-Factor VIIa/Soluble Tissue Factor complex.
Method X-ray diffraction Resolution 1.87 Å Mutation Yes [3]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:44; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.723
ASN2
3.280
ALA3
2.874
PHE4
2.783
LEU5
1.334
LEU8
1.332
ARG9
3.025
GLY11
3.192
SER12
2.909
LEU13
1.334
ARG15
1.326
CYS17
1.328
LYS18
1.328
GLN21
1.333
CYS22
3.324
Residue
Distance (Å)
SER23
2.961
PHE24
1.340
ALA27
1.330
ARG28
1.326
ILE30
1.327
PHE31
3.544
LYS32
3.430
ASP33
3.297
ALA34
1.328
ARG36
1.333
THR37
3.249
LYS38
3.814
LEU39
3.258
TYR44
3.489
PDB ID: 1DAN      Complex of active site inhibited human blood coagulation factor VIIA with human recombinant soluble tissue factor
Method X-ray diffraction Resolution 2.00 Å Mutation No [6]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:44; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.514
ASN2
3.075
ALA3
3.213
PHE4
3.252
LEU5
1.333
LEU8
1.332
ARG9
2.844
PRO10
4.563
GLY11
3.062
SER12
2.767
LEU13
1.329
ARG15
1.326
CYS17
1.327
LYS18
1.327
GLN21
1.324
Residue
Distance (Å)
CYS22
3.173
SER23
2.884
PHE24
1.333
ALA27
1.334
ARG28
1.332
ILE30
1.329
PHE31
3.751
LYS32
4.326
ASP33
2.900
ALA34
1.334
ARG36
1.333
THR37
3.422
LYS38
3.518
LEU39
3.031
TYR44
3.501
PDB ID: 1Z6J      Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor
Method X-ray diffraction Resolution 2.00 Å Mutation Yes [7]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:44; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.577
ASN2
2.725
ALA3
3.289
PHE4
3.523
LEU5
1.331
LEU8
1.331
ARG9
2.438
GLY11
3.732
SER12
2.858
LEU13
1.327
ARG15
1.328
CYS17
1.331
LYS18
1.327
GLN21
1.331
CYS22
3.121
Residue
Distance (Å)
SER23
3.171
PHE24
1.327
ALA27
1.332
ARG28
1.330
ILE30
1.333
PHE31
3.418
LYS32
3.844
ASP33
3.173
ALA34
1.335
ARG36
1.332
THR37
3.347
LYS38
3.346
LEU39
3.110
TYR44
4.735
PDB ID: 2EC9      Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607
Method X-ray diffraction Resolution 2.00 Å Mutation No [8]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:44; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.612
ASN2
2.754
ALA3
3.426
PHE4
3.310
LEU5
1.380
LEU8
1.400
ARG9
2.787
PRO10
4.745
GLY11
3.405
SER12
2.655
LEU13
1.394
ARG15
1.379
CYS17
1.369
LYS18
1.397
GLN21
1.388
Residue
Distance (Å)
CYS22
3.125
SER23
2.677
PHE24
1.406
ALA27
1.378
ARG28
1.410
ILE30
1.406
PHE31
4.233
LYS32
4.511
ASP33
2.594
ALA34
1.392
ARG36
1.387
THR37
3.281
LYS38
3.416
LEU39
2.915
TYR44
3.941
PDB ID: 2FIR      Crystal structure of DFPR-VIIa/sTF
Method X-ray diffraction Resolution 2.00 Å Mutation No [3]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:44; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.759
ASN2
3.291
ALA3
2.790
PHE4
2.718
LEU5
1.332
LEU8
1.334
ARG9
3.058
PRO10
4.687
GLY11
3.426
SER12
3.024
LEU13
1.338
ARG15
1.328
CYS17
1.332
LYS18
1.336
GLN21
1.329
Residue
Distance (Å)
CYS22
3.189
SER23
3.148
PHE24
1.340
ALA27
1.332
ARG28
1.337
ILE30
1.335
PHE31
3.620
LYS32
3.746
ASP33
2.963
ALA34
1.324
ARG36
1.334
THR37
3.399
LYS38
3.180
LEU39
3.094
TYR44
3.423
PDB ID: 1WTG      Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine
Method X-ray diffraction Resolution 2.20 Å Mutation Yes [9]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:40 or .L:44; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.901
ASN2
2.654
ALA3
3.048
PHE4
2.990
LEU5
1.328
LEU8
1.330
ARG9
2.960
PRO10
4.689
GLY11
3.273
SER12
2.746
LEU13
1.328
ARG15
1.329
CYS17
1.326
LYS18
1.327
GLN21
1.325
CYS22
3.167
Residue
Distance (Å)
SER23
2.735
PHE24
1.328
ALA27
1.330
ARG28
1.328
ILE30
1.327
PHE31
3.694
LYS32
4.303
ASP33
3.135
ALA34
1.330
ARG36
1.328
THR37
3.325
LYS38
3.452
LEU39
2.907
PHE40
4.998
TYR44
3.243
PDB ID: 2ZWL      Human factor viia-tissue factor complexed with highly selective peptide inhibitor
Method X-ray diffraction Resolution 2.20 Å Mutation No [10]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:44; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
3.020
ASN2
2.683
ALA3
3.283
PHE4
3.087
LEU5
1.327
LEU8
1.329
ARG9
2.880
PRO10
4.571
GLY11
3.221
SER12
2.721
LEU13
1.327
ARG15
1.328
CYS17
1.328
LYS18
1.328
GLN21
1.328
Residue
Distance (Å)
CYS22
3.089
SER23
2.701
PHE24
1.329
ALA27
1.328
ARG28
1.328
ILE30
1.327
PHE31
3.729
LYS32
3.196
ASP33
2.610
ALA34
1.327
ARG36
1.330
THR37
3.340
LYS38
3.520
LEU39
3.125
TYR44
3.125
PDB ID: 1WUN      Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine
Method X-ray diffraction Resolution 2.40 Å Mutation Yes [11]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:40 or .L:44; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.846
ASN2
2.775
ALA3
3.068
PHE4
3.075
LEU5
1.325
LEU8
1.330
ARG9
2.796
PRO10
4.413
GLY11
3.042
SER12
2.542
LEU13
1.327
ARG15
1.328
CYS17
1.326
LYS18
1.328
GLN21
1.329
CYS22
3.114
Residue
Distance (Å)
SER23
2.492
PHE24
1.329
ALA27
1.329
ARG28
1.330
ILE30
1.323
PHE31
3.697
LYS32
4.250
ASP33
3.104
ALA34
1.330
ARG36
1.328
THR37
3.319
LYS38
3.184
LEU39
2.793
PHE40
4.922
TYR44
3.178
PDB ID: 1W0Y      tf7a_3771 complex
Method X-ray diffraction Resolution 2.50 Å Mutation No [12]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDAERTKL
39
FWISYSDGDQ
49
CASSPCQNGG
59

SCKDQLQSYI
69
CFCLPAFEGR
79
NCETHKDDQL
89
ICVNENGGCE
99
QYCSDHTGTK
109

RSCRCHEGYS
119
LLADGVSCTP
129
TVEYPCGKIP
139
ILE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:44; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.744
ASN2
2.617
ALA3
2.999
PHE4
3.006
LEU5
1.327
LEU8
1.326
ARG9
2.884
PRO10
4.579
GLY11
3.262
SER12
2.743
LEU13
1.328
ARG15
1.320
Residue
Distance (Å)
CYS17
1.326
LYS18
1.336
GLN21
1.330
CYS22
3.053
SER23
2.770
PHE24
1.331
ALA27
1.338
ARG28
1.335
ILE30
1.328
PHE31
3.853
LYS32
3.441
TYR44
3.233
PDB ID: 1WQV      Human Factor Viia-Tissue Factor Complexed with propylsulfonamide-D-Thr-Met-p-aminobenzamidine
Method X-ray diffraction Resolution 2.50 Å Mutation No [13]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:40 or .L:44; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.837
ASN2
2.632
ALA3
3.200
PHE4
3.154
LEU5
1.327
LEU8
1.330
ARG9
2.792
PRO10
4.822
GLY11
3.556
SER12
2.805
LEU13
1.327
ARG15
1.324
CYS17
1.330
LYS18
1.328
GLN21
1.327
CYS22
3.235
Residue
Distance (Å)
SER23
2.768
PHE24
1.327
ALA27
1.330
ARG28
1.328
ILE30
1.326
PHE31
3.728
LYS32
4.242
ASP33
3.295
ALA34
1.328
ARG36
1.326
THR37
3.137
LYS38
3.035
LEU39
2.819
PHE40
4.817
TYR44
3.044
PDB ID: 2ZZU      Human Factor VIIA-Tissue Factor Complexed with ethylsulfonamide-D-5-(3-carboxybenzyloxy)-Trp-Gln-p-aminobenzamidine
Method X-ray diffraction Resolution 2.50 Å Mutation No [14]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:40 or .L:44; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.940
ASN2
2.582
ALA3
3.335
PHE4
3.076
LEU5
1.326
LEU8
1.329
ARG9
2.915
PRO10
4.548
GLY11
3.258
SER12
2.545
LEU13
1.327
ARG15
1.328
CYS17
1.328
LYS18
1.330
GLN21
1.326
CYS22
3.067
Residue
Distance (Å)
SER23
2.691
PHE24
1.328
ALA27
1.329
ARG28
1.330
ILE30
1.325
PHE31
3.644
LYS32
4.327
ASP33
2.930
ALA34
1.330
ARG36
1.328
THR37
3.179
LYS38
3.236
LEU39
2.871
PHE40
4.833
TYR44
3.287
PDB ID: 2AEI      Crystal structure of a ternary complex of factor VIIa/tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid
Method X-ray diffraction Resolution 2.52 Å Mutation Yes [15]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:40 or .L:44; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.591
ASN2
2.573
ALA3
2.742
PHE4
3.517
LEU5
1.337
LEU8
1.332
ARG9
2.747
GLY11
3.033
SER12
2.732
LEU13
1.330
ARG15
1.326
CYS17
1.333
LYS18
1.329
GLN21
1.334
CYS22
3.249
Residue
Distance (Å)
SER23
2.758
PHE24
1.335
ALA27
1.328
ARG28
1.326
ILE30
1.337
PHE31
4.007
LYS32
2.926
ASP33
2.919
ALA34
1.324
ARG36
1.330
THR37
3.238
LYS38
3.251
LEU39
2.920
PHE40
4.987
TYR44
4.202
PDB ID: 1WSS      Human Factor Viia-Tissue Factor in Complex with peptide-mimetic inhibitor that has two charged groups in P2 and P4
Method X-ray diffraction Resolution 2.60 Å Mutation No [16]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:40 or .L:44; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.953
ASN2
2.717
ALA3
3.217
PHE4
3.157
LEU5
1.324
LEU8
1.329
ARG9
2.799
PRO10
4.183
GLY11
3.044
SER12
2.507
LEU13
1.329
ARG15
1.325
CYS17
1.329
LYS18
1.328
GLN21
1.324
CYS22
3.104
Residue
Distance (Å)
SER23
2.648
PHE24
1.329
ALA27
1.331
ARG28
1.329
ILE30
1.326
PHE31
3.694
LYS32
4.279
ASP33
3.352
ALA34
1.330
ARG36
1.328
THR37
3.118
LYS38
3.092
LEU39
2.752
PHE40
4.766
TYR44
3.225
PDB ID: 1WV7      Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-5-propoxy-Trp-Gln-p-aminobenzamidine
Method X-ray diffraction Resolution 2.70 Å Mutation Yes [11]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:40 or .L:44; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.851
ASN2
2.556
ALA3
3.648
PHE4
3.085
LEU5
1.330
LEU8
1.331
ARG9
2.818
PRO10
4.639
GLY11
3.223
SER12
2.700
LEU13
1.325
ARG15
1.325
CYS17
1.329
LYS18
1.330
GLN21
1.323
CYS22
3.107
Residue
Distance (Å)
SER23
2.938
PHE24
1.328
ALA27
1.332
ARG28
1.330
ILE30
1.328
PHE31
3.690
LYS32
4.251
ASP33
3.458
ALA34
1.331
ARG36
1.328
THR37
3.091
LYS38
2.953
LEU39
2.798
PHE40
4.900
TYR44
3.207
PDB ID: 2ZP0      Human factor viia-tissue factor complexed with benzylsulfonamide-D-ile-gln-P-aminobenzamidine
Method X-ray diffraction Resolution 2.70 Å Mutation No [17]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:40 or .L:44; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
3.046
ASN2
2.588
ALA3
3.807
PHE4
3.004
LEU5
1.324
LEU8
1.327
ARG9
2.962
PRO10
4.652
GLY11
3.132
SER12
2.660
LEU13
1.331
ARG15
1.327
CYS17
1.326
LYS18
1.328
GLN21
1.322
CYS22
3.026
Residue
Distance (Å)
SER23
3.260
PHE24
1.329
ALA27
1.325
ARG28
1.331
ILE30
1.324
PHE31
3.552
LYS32
4.100
ASP33
3.490
ALA34
1.329
ARG36
1.325
THR37
3.114
LYS38
3.094
LEU39
2.815
PHE40
4.852
TYR44
3.189
PDB ID: 2B8O      Crystal Structure of Glu-Gly-Arg-Chloromethyl Ketone-Factor VIIa/Soluble Tissue Factor Complex
Method X-ray diffraction Resolution 2.80 Å Mutation No [18]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:44; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.568
ASN2
3.394
ALA3
2.586
PHE4
2.763
LEU5
1.335
LEU8
1.335
ARG9
2.765
GLY11
3.419
SER12
2.853
LEU13
1.338
ARG15
1.327
CYS17
1.340
LYS18
1.331
GLN21
1.332
CYS22
3.168
Residue
Distance (Å)
SER23
3.483
PHE24
1.335
ALA27
1.327
ARG28
1.334
ILE30
1.318
PHE31
2.958
LYS32
2.998
ASP33
2.935
ALA34
1.337
ARG36
1.334
THR37
3.111
LYS38
3.212
LEU39
3.087
TYR44
3.531
PDB ID: 1W2K      tf7a_4380 complex
Method X-ray diffraction Resolution 3.00 Å Mutation No [12]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDAERTKL
39
FWISYSDGDQ
49
CASSPCQNGG
59

SCKDQLQSYI
69
CFCLPAFEGR
79
NCETHKDDQL
89
ICVNENGGCE
99
QYCSDHTGTK
109

RSCRCHEGYS
119
LLADGVSCTP
129
TVEYPCGKIP
139
ILE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:44; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.613
ASN2
2.522
ALA3
2.907
PHE4
3.018
LEU5
1.329
LEU8
1.332
ARG9
3.014
PRO10
4.093
GLY11
3.403
SER12
2.783
LEU13
1.328
ARG15
1.328
Residue
Distance (Å)
CYS17
1.329
LYS18
1.334
GLN21
1.331
CYS22
3.003
SER23
3.065
PHE24
1.329
ALA27
1.330
ARG28
1.332
ILE30
1.326
PHE31
3.950
LYS32
3.777
TYR44
3.393
PDB ID: 6R2W      Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor
Method X-ray diffraction Resolution 1.25 Å Mutation Yes [19]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LEK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:40 or .L:44; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
1.882
ASN2
2.144
ALA3
2.769
PHE4
3.079
LEU5
1.329
LEU8
1.326
ARG9
2.030
PRO10
4.859
GLY11
2.538
SER12
2.052
LEU13
1.330
ARG15
1.327
CYS17
1.332
LYS18
1.330
GLN21
1.323
CYS22
2.120
Residue
Distance (Å)
SER23
2.027
PHE24
1.325
ALA27
1.322
ARG28
1.324
ILE30
1.322
PHE31
3.601
LYS32
2.285
ASP33
2.568
ALA34
1.330
ARG36
1.329
THR37
3.094
LYS38
2.119
LEU39
2.161
PHE40
4.529
TYR44
2.954
PDB ID: 4YLQ      Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor
Method X-ray diffraction Resolution 1.40 Å Mutation Yes [20]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHTGTKR
110

SCRCHEGYSL
120
LADGVSCTPT
130
VEYPCGKIPI
140
LEK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:10 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:40 or .L:44; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
2.647
ASN2
2.246
ALA3
2.755
PHE4
3.204
LEU5
1.343
LEU8
1.334
ARG9
2.024
PRO10
4.816
GLY11
2.442
SER12
2.054
LEU13
1.339
ARG15
1.316
CYS17
1.332
LYS18
1.332
GLN21
1.335
CYS22
2.045
Residue
Distance (Å)
SER23
2.091
PHE24
1.337
ALA27
1.319
ARG28
0.707
ILE30
1.330
PHE31
3.704
LYS32
2.418
ASP33
2.702
ALA34
1.329
ARG36
1.317
THR37
3.121
LYS38
2.474
LEU39
2.226
PHE40
4.538
TYR44
2.970
PDB ID: 4ZMA      Crystal Structure of a FVIIa-Trypsin Chimera (ST) in Complex with Soluble Tissue Factor
Method X-ray diffraction Resolution 2.30 Å Mutation Yes [20]
PDB Sequence
ANAFLLRPGS
12
LRCKQCSFAR
28
IFKDARTKLF
40
WISYSDGDQC
50
ASSPCQNGGS
60

CKDQLQSYIC
70
FCLPAFEGRN
80
CETHKDDQLI
90
CVNENGGCEQ
100
YCSDHKRSCR
113

CHEGYSLLAD
123
GVSCTPTVEY
133
PCGKIPILEK
143
R
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CGU or .CGU2 or .CGU3 or :3CGU;style chemicals stick;color identity;select .L:1 or .L:2 or .L:3 or .L:4 or .L:5 or .L:8 or .L:9 or .L:11 or .L:12 or .L:13 or .L:15 or .L:17 or .L:18 or .L:21 or .L:22 or .L:23 or .L:24 or .L:27 or .L:28 or .L:30 or .L:31 or .L:32 or .L:33 or .L:34 or .L:36 or .L:37 or .L:38 or .L:39 or .L:40 or .L:44; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ALA1
1.261
ASN2
2.194
ALA3
2.062
PHE4
2.668
LEU5
1.330
LEU8
1.330
ARG9
2.227
GLY11
2.714
SER12
2.173
LEU13
1.330
ARG15
1.329
CYS17
1.330
LYS18
1.328
GLN21
1.330
CYS22
2.177
Residue
Distance (Å)
SER23
2.156
PHE24
1.329
ALA27
1.330
ARG28
1.329
ILE30
1.330
PHE31
3.554
LYS32
3.566
ASP33
2.721
ALA34
1.329
ARG36
1.330
THR37
3.010
LYS38
3.167
LEU39
2.587
PHE40
4.955
TYR44
3.395
References  Top
REF 1 The discovery of fluoropyridine-based inhibitors of the factor VIIa/TF complex--Part 2. Bioorg Med Chem Lett. 2006 Feb 15;16(4):1060-4.
REF 2 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
REF 3 High resolution structures of p-aminobenzamidine- and benzamidine-VIIa/soluble tissue factor: unpredicted conformation of the 192-193 peptide bond and mapping of Ca2+, Mg2+, Na+, and Zn2+ sites in factor VIIa. J Biol Chem. 2006 Aug 25;281(34):24873-88.
REF 4 Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
REF 5 Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium. doi:10.1107/S2059798321003922.
REF 6 The crystal structure of the complex of blood coagulation factor VIIa with soluble tissue factor. Nature. 1996 Mar 7;380(6569):41-6.
REF 7 Structure-based design and synthesis of pyrazinones containing novel P1 'side pocket' moieties as inhibitors of TF/VIIa. Bioorg Med Chem Lett. 2005 Jun 15;15(12):3006-11.
REF 8 Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa. Acta Crystallogr D Biol Crystallogr. 2007 Jun;63(Pt 6):689-97.
REF 9 Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor. Biochem Biophys Res Commun. 2005 Jan 28;326(4):859-65.
REF 10 Human factor viia-tissue factor complexed with highly selective peptide inhibitor
REF 11 Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor. Biochem Biophys Res Commun. 2005 Feb 11;327(2):589-96.
REF 12 Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors. Bioorg Med Chem Lett. 2005 Feb 1;15(3):817-22.
REF 13 Crystal structure of human factor VIIa/tissue factor in complex with peptide mimetic inhibitor. Biochem Biophys Res Commun. 2004 Nov 26;324(4):1227-33.
REF 14 Design and synthesis of peptidomimetic factor VIIa inhibitors. Chem Pharm Bull (Tokyo). 2010 Jan;58(1):38-44.
REF 15 The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex. Bioorg Med Chem Lett. 2005 Nov 1;15(21):4752-6.
REF 16 Structure of human factor VIIa/tissue factor in complex with a peptide-mimetic inhibitor: high selectivity against thrombin by introducing two charged groups in P2 and P4. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2005 Feb 1;61(Pt 2):169-73.
REF 17 Peptide Mimetic Factor VIIa Inhibitor: Importance of Hydrophilic Pocket in S2 Site to Improve Selectivity aganist Thrombin
REF 18 Crystal Structure of Factor VIIa/soluble Tissue Factor complexed with Glu-Gly-Arg-Chloromethyl ketone
REF 19 Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa. J Biol Chem. 2020 Jan 10;295(2):517-528.
REF 20 Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity. J Biol Chem. 2016 Feb 26;291(9):4671-83.

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