Structure of PDB 4pbf Chain B Binding Site BS01

Receptor Information

>4pbf Chain B (length=331) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GDRINTVRGPIAISEAGFTLTHEHICGSSAGFLRAWPEFFGSREALVEKA
VRGLRRARAAGVRTIVDVTTFDLGRDVRLLAEVSRAADVHIVAATGMWLD
PSLTIRMRSVVELTQFFLREIQHGIEDTGIRAGIIKVATTDKMTPFQELV
LRAAARASLATGVPVITHTEGSQRGGEQQAAIFESEGLSPSRVCIGHSDE
TDDLSYLTALAARGYLIGLDRIPHNAIGLEDNASATALMGSRSWQTRALL
IKALIDQGYKKQILVSNDWLFGMSCYVTNFMDVMDSVNPDGMAFIPLRVI
PFLREKGTPQETLAGITVTNPARFLSPTLRA

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

4pbf Chain B Residue 2401 [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	4pbf The role of protein dynamics in the evolution of new enzyme function.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	H55 H57 K169 D301
Binding residue (residue number reindexed from 1)	H22 H24 K136 D268
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)	H22 H24 K136 H168 H197 E200 R221 D268
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

View graph for
Biological Process

External links

PDB	RCSB:4pbf, PDBe:4pbf, PDBj:4pbf
PDBsum	4pbf
PubMed	27618189
UniProt	A0A060GTM0

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