Structure of PDB 1smp Chain A Binding Site BS02

Receptor Information
>1smp Chain A (length=468) Species: 615 (Serratia marcescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGYDAVDDLLHYHERGNGIQINGKDSFSNEQAGLFITRENQTWNGYKVFG
QPVKLTFSFPDYKFSSTNVAGDTGLSKFSAEQQQQAKLSLQSWADVANIT
FTEVAAGQKANITFGNYSQDRPGHYDYGTQAYAFLPNTIWQGQDLGGQTW
YNVNQSNVKHPATEDYGRQTFTHEIGHALGLSHPGDYNAGEGNPTYNDVT
YAEDTRQFSLMSYWSETNTGGDNGGHYAAAPLLDDIAAIQHLYGANLSTR
TGDTVYGFNSNTGRDFLSTTSNSQKVIFAAWDAGGNDTFDFSGYTANQRI
NLNEKSFSDVGGLKGNVSIAAGVTIENAIGGSGNDVIVGNAANNVLKGGA
GNDVLFGGGGADELWGGAGKDIFVFSAASDSAPGASDWIRDFQKGIDKID
LSFFNKEANSSDFIHFVDHFSGTAGEALLSYNASSNVTDLSVNIGGHQAP
DFLVKIVGQVDVATDFIV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1smp Chain A Residue 473 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1smp Crystal structure of a complex between Serratia marcescens metallo-protease and an inhibitor from Erwinia chrysanthemi.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R253 G255 T257 D285 G287 D290
Binding residue
(residue number reindexed from 1)		R250 G252 T254 D282 G284 D287
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.40: serralysin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0005509 calcium ion binding
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0001907 symbiont-mediated killing of host cell
GO:0006508 proteolysis
GO:0035821 modulation of process of another organism
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0031012 extracellular matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1smp, PDBe:1smp, PDBj:1smp
PDBsum1smp
PubMed7752231
UniProtP23694|PRZN_SERMA Serralysin

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