Structure of PDB 4wak Chain A Binding Site BS01

Receptor Information

>4wak Chain A (length=179) Species: 71421 (Haemophilus influenzae Rd KW20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TPHYLVIACSDSRVPAEKLTGELFVHRNVANQVIHTDFNCLSVVQYAVDV
LKIEHIIICGHTNCGGIHAAMADKDLGLINNWLLHIRDIWFKHGHLLGKL
SPEKRADMLTKINVAEQVYNLGRTSIVKSAWERGQKLSLHGWVYDVNDGF
LVDQGVMATSRETLEISYRNAIARLSILD

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

4wak Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	4wak Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Resolution	2.49 Å
Binding residue (original residue number in PDB)	C42 D44 H98 C101
Binding residue (residue number reindexed from 1)	C9 D11 H61 C64
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	C42 D44 R46 H98 C101
Catalytic site (residue number reindexed from 1)	C9 D11 R13 H61 C64
Enzyme Commision number	4.2.1.1: carbonic anhydrase.

Gene Ontology

	Molecular Function
GO:0004089	carbonate dehydratase activity
GO:0008270	zinc ion binding
GO:0016829	lyase activity
GO:0046872	metal ion binding

	Biological Process
GO:0015976	carbon utilization

	Cellular Component
GO:0005575	cellular_component

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:4wak, PDBe:4wak, PDBj:4wak
PDBsum	4wak
PubMed	25506786
UniProt	P45148\|CAN_HAEIN Carbonic anhydrase 2 (Gene Name=can)

[Back to BioLiP]