Structure of PDB 1qca Chain A Binding Site BS01

Receptor Information

>1qca Chain A (length=211) Species: 623 (Shigella flexneri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MNYTKFDVKNWVRREHFEFYRHRLPCGFSLTSKIDITTLKKSLDDSAYKF
YPVMIYLIAQAVNQFDELRMAIKDDELIVWDSVDPCFTVFHQETETFSAL
SCPYSSDIDQFMVNYLSVMERYKSDTKLFPQGPENHLFISALPWVNFDSF
NLNVANFTDFFAPVITMAKYQQEGDRLLLPLSVQVHHAVCDGFHVARFIN
RLQELCNSKLK

Ligand information

Ligand ID

InChI

InChI=1S/Co/q+2

InChIKey

XLJKHNWPARRRJB-UHFFFAOYSA-N

SMILES

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

Formula

Name

COBALT (II) ION

PDB chain

1qca Chain A Residue 222 [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	1qca Steroid recognition by chloramphenicol acetyltransferase: engineering and structural analysis of a high affinity fusidic acid binding site.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	E23 H27
Binding residue (residue number reindexed from 1)	E18 H22
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	R18 T174 H195 D199
Catalytic site (residue number reindexed from 1)	R13 T166 H187 D191
Enzyme Commision number	2.3.1.28: chloramphenicol O-acetyltransferase.

Gene Ontology

	Molecular Function
GO:0008811	chloramphenicol O-acetyltransferase activity
GO:0016746	acyltransferase activity

	Biological Process
GO:0046677	response to antibiotic

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Molecular Function

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Biological Process

External links

PDB	RCSB:1qca, PDBe:1qca, PDBj:1qca
PDBsum	1qca
PubMed	7500366
UniProt	P00484\|CAT3_ECOLX Chloramphenicol acetyltransferase 3 (Gene Name=cat3)

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