4BV5

Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.

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Functional Information from GO Data

ChainGOidnamespacecontents
A0005576cellular_componentextracellular region
A0034358cellular_componentplasma lipoprotein particle
A0034185molecular_functionapolipoprotein binding
A0004866molecular_functionendopeptidase inhibitor activity
A0001968molecular_functionfibronectin binding
A0008201molecular_functionheparin binding
A0004252molecular_functionserine-type endopeptidase activity
A0008015biological_processblood circulation
A0006629biological_processlipid metabolic process
A0006869biological_processlipid transport
A0034374biological_processlow-density lipoprotein particle remodeling
B0005576cellular_componentextracellular region
B0034358cellular_componentplasma lipoprotein particle
B0034185molecular_functionapolipoprotein binding
B0004866molecular_functionendopeptidase inhibitor activity
B0001968molecular_functionfibronectin binding
B0008201molecular_functionheparin binding
B0004252molecular_functionserine-type endopeptidase activity
B0008015biological_processblood circulation
B0006629biological_processlipid metabolic process
B0006869biological_processlipid transport
B0034374biological_processlow-density lipoprotein particle remodeling
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC112BINDING SITE FOR RESIDUE 5C3 A 1081
ChainResidue
AHIS33
AGLN34
AARG35
AASP55
AASP57
ATRP62
APHE64
AARG71
ATRP72
BASP67
BPRO68
BSER69

AC211BINDING SITE FOR RESIDUE 5C3 B 1081
ChainResidue
AASP67
APRO68
ASER69
BHIS33
BGLN34
BARG35
BASP55
BASP57
BTRP62
BARG71
BTRP72

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
5C3_4bv5_A_1081104-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide binding site
ChainResidueligand
AARG32-ARG355C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
AASP555C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
AASP575C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
ATRP625C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
APHE645C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
AARG71-TRP725C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide

5C3_4bv5_B_1081134-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide binding site
ChainResidueligand
AASP67-SER695C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
BARG32-ARG355C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
BASP555C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
BASP575C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
BTRP625C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
BPHE645C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
BARG71-TRP725C3: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI13Charge relay system.
ChainResidueDetails
ANA*
ANA*
ANA*

SWS_FT_FI23Charge relay system.
ChainResidueDetails
BNA*
BNA*
BNA*

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Catalytic Information from CSA

site_idNumber of ResiduesDetails