Structure of PDB 7ahv Chain H Binding Site BS01
Receptor Information
>7ahv Chain H (length=235) Species:
9606
(Homo sapiens) [
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VVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKIT
VVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLV
LNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPL
VDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLT
GIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
Ligand information
Ligand ID
0GJ
InChI
InChI=1S/C14H27ClN6O5/c15-6-10(22)9(2-1-5-19-14(17)18)21-11(23)7-20-13(26)8(16)3-4-12(24)25/h8-10,22H,1-7,16H2,(H,20,26)(H,21,23)(H,24,25)(H4,17,18,19)/p+1/t8-,9-,10+/m0/s1
InChIKey
XELWNHKFCNMWQO-LPEHRKFASA-O
SMILES
Software
SMILES
CACTVS 3.370
N[CH](CCC(O)=O)C(=O)NCC(=O)N[CH](CCCNC(N)=[NH2+])[CH](O)CCl
CACTVS 3.370
N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])[C@H](O)CCl
ACDLabs 12.01
O=C(NC(CCCNC(=[NH2+])\N)C(O)CCl)CNC(=O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0
C(CC(C(CCl)O)NC(=O)CNC(=O)C(CCC(=O)O)N)CNC(=[NH2+])N
OpenEye OEToolkits 1.7.0
C(C[C@@H]([C@@H](CCl)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N)CNC(=[NH2+])N
Formula
C14 H28 Cl N6 O5
Name
L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide
ChEMBL
DrugBank
ZINC
PDB chain
7ahv Chain H Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
7ahv
A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Resolution
3.11 Å
Binding residue
(original residue number in PDB)
H57 Y99 D189 S190 C191 Q192 S195 W215 G216
Binding residue
(residue number reindexed from 1)
H41 Y86 D179 S180 C181 Q182 S185 W205 G206
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1)
H41 D89 Q182 G183 D184 S185 G186
Enzyme Commision number
3.4.21.22
: coagulation factor IXa.
Gene Ontology
Molecular Function
GO:0004252
serine-type endopeptidase activity
Biological Process
GO:0006508
proteolysis
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Molecular Function
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Biological Process
External links
PDB
RCSB:7ahv
,
PDBe:7ahv
,
PDBj:7ahv
PDBsum
7ahv
PubMed
34077951
UniProt
P00740
|FA9_HUMAN Coagulation factor IX (Gene Name=F9)
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