Structure of PDB 4xd3 Chain A Binding Site BS02

Receptor Information

>4xd3 Chain A (length=327) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRKALAEKAVR
GLRRARAAGVRTIVDVSTFDLGRDVSLLAEVSRAADVHIVAATGLWLDPP
LSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKVTPFQELVLR
AAARASLATGVPVTTHTAASQRGGEQQAAIFESEGLSPSRVCIGHSDETD
DLSYLTALAARGYLIGLDRIPHSAIGLEDNASASAFMGIRSWQTRALLIK
ALIDQGYMKQILVSNDWLFGISSYVTNFMDVMDSVNPDGMAFIPLRVIPF
LREKGIPQETLAGITVTNPARFLSPTL

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

4xd3 Chain A Residue 2402 [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	4xd3 The role of protein dynamics in the evolution of new enzyme function.
Resolution	1.57 Å
Binding residue (original residue number in PDB)	K169 H201 H230
Binding residue (residue number reindexed from 1)	K134 H166 H195
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H55 H57 K169 H201 H230 E233 R254 D301
Catalytic site (residue number reindexed from 1)	H20 H22 K134 H166 H195 E198 R219 D266
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0008270	zinc ion binding
GO:0016788	hydrolase activity, acting on ester bonds
GO:0046872	metal ion binding

	Biological Process
GO:0009056	catabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:4xd3, PDBe:4xd3, PDBj:4xd3
PDBsum	4xd3
PubMed	27618189
UniProt	A0A060GPQ5

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