Structure of PDB 4fkc Chain A Binding Site BS02

Receptor Information

>4fkc Chain A (length=370) Species: 604354 (Thermococcus sibiricus MM 739) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HHHGSMDYKRRIHKFQAHFGKKGFEGALVAPGSNFYYLTGFNPLGTLERL
FVLILPSEGLLTAIAPRLYEKELEEFNGEVVLWSDSENPYKIFATKIKET
FKEGEKLLIDDTMPVGVFLKAKDIFDKYSLHPISPVISELREIKDKDEIK
AHKKAAEIVDKVFYRFIEGKLEGKSERELANRIEYMIKNEFGADDVSFEP
IVASGPNGANPHHRPSHRKIRKGDVVIFDYGAKYLGYCSDVTRTVVVGPP
SEEVKKVYEIVKEAQETAVQKVAEGIPAEVVDATARGIISKYGYGEYFIH
RTGHGLGIDVHEEPYISPGNKKILKDGMVFTIEPGIYLQGKFGVRIEDDV
ALVDKKGIRLTNADRELITL

Ligand information

Ligand ID

InChI

InChI=1S/Cd/q+2

InChIKey

WLZRMCYVCSSEQC-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Cd++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Cd+2]

Formula

Name

CADMIUM ION

ChEMBL

DrugBank

ZINC

PDB chain

4fkc Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4fkc Influence of intermolecular contacts on the structure of recombinant prolidase from Thermococcus sibiricus.
Resolution	2.6 Å
Binding residue (original residue number in PDB)	D229 D240 E347
Binding residue (residue number reindexed from 1)	D229 D240 E347
Annotation score	3

Enzymatic activity

Catalytic site (original residue number in PDB)	H212 D229 D240 H300 H304 H311 E333 Y337 R345 E347
Catalytic site (residue number reindexed from 1)	H212 D229 D240 H300 H304 H311 E333 Y337 R345 E347
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0004177	aminopeptidase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:4fkc, PDBe:4fkc, PDBj:4fkc
PDBsum	4fkc
PubMed	23143231
UniProt	C6A2N7

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