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 T89034 Target Info
Target Name Plasminogen (PLG)
Synonyms Plasmin
Target Type Successful Target
Gene Name PLG
Biochemical Class Peptidase
UniProt ID
PLMN_HUMAN
Ligand General Information  Top
Ligand Name Aminocaproic acid Ligand Info
Canonical SMILES C(CCC(=O)O)CCN
InChI 1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKey SLXKOJJOQWFEFD-UHFFFAOYSA-N
PubChem Compound ID 564
Drug Binding Sites of Target  Top
PDB ID: 1CEA      THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN WITH EACA (EPSILON-AMINOCAPROIC ACID)
Method X-ray diffraction Resolution 2.06 Å Mutation No [1]
PDB Sequence
ECKTGNGKNY
9
RGTMSKTKNG
19
ITCQKWSSTS
29
PHRPRFSPAT
39
HPSEGLEENY
49

CRNPDNDPQG
59
PWCYTTDPEK
69
RYDYCDILEC
79
Residue
Distance (Å)
ARG34
2.697
PHE35
3.729
ASP54
3.007
ASP56
2.986
TRP61
3.453
Residue
Distance (Å)
TYR63
2.603
ARG70
3.049
TYR71
3.723
TYR73
4.172
PDB ID: 2PK4      THE REFINED STRUCTURE OF THE EPSILON-AMINOCAPROIC ACID COMPLEX OF HUMAN PLASMINOGEN KRINGLE
Method X-ray diffraction Resolution 2.25 Å Mutation No [2]
PDB Sequence
QDCYHGDGQS
8
YRGTSSTTTT
18
GKKCQSWSSM
28
TPHRHQKTPE
39
NYPNAGLTMN
49

YCRNPDADKG
60
PWCFTTDPSV
70
RWEYCNLKKC
80
Residue
Distance (Å)
HIS33
4.697
LYS35
2.724
ASP55
2.118
ASP57
2.838
Residue
Distance (Å)
TRP62
3.356
PHE64
3.155
ARG71
2.707
TRP72
3.015
PDB ID: 1HPK      SOLUTION NMR STRUCTURE OF THE HUMAN PLASMINOGEN KRINGLE 1 DOMAIN COMPLEXED WITH 6-AMINOHEXANOIC ACID AT PH 5.3, 310K, DERIVED FROM RANDOMLY GENERATED STRUCTURES USING SIMULATED ANNEALING, MINIMIZED AVERAGE STRUCTURE
Method Solution NMR Resolution N.A. Mutation No [3]
PDB Sequence
CKTGNGKNYR
10
GTMSKTKNGI
20
TCQKWSSTSP
30
HRPRFSPATH
40
PSEGLEENYC
50

RNPDNDPQGP
60
WCYTTDPEKR
70
YDYCDILEC
Residue
Distance (Å)
PRO33
2.370
PHE35
2.341
ASP54
1.864
ASN55
2.857
Residue
Distance (Å)
ASP56
2.462
TRP61
2.322
TYR63
2.001
TYR71
3.913
References  Top
REF 1 Crystal structures of the recombinant kringle 1 domain of human plasminogen in complexes with the ligands epsilon-aminocaproic acid and trans-4-(aminomethyl)cyclohexane-1-carboxylic Acid. Biochemistry. 1996 Feb 27;35(8):2567-76.
REF 2 The refined structure of the epsilon-aminocaproic acid complex of human plasminogen kringle 4. Biochemistry. 1991 Oct 29;30(43):10589-94.
REF 3 Solution structure of the epsilon-aminohexanoic acid complex of human plasminogen kringle 1. Eur J Biochem. 1994 May 1;221(3):939-49.

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