Structure of PDB 3q4d Chain G Binding Site BS02

Receptor Information

>3q4d Chain G (length=368) Species: 269798 (Cytophaga hutchinsonii ATCC 33406) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MIITQVELYKSPVKLKEPFKISLGILTHANNVIVRIHTASGHIGYGECSP
FMTIHGESMDTAFIVGQYLAKGLIGTSCLDIVSNSLLMDAIIYGNSCIKS
AFNIALYDLAAQHAGLPLYAFLGGKKDKIIQTDYTVSIDEPHKMAADAVQ
IKKNGFEIIKVKVGGSKELDVERIRMIREAAGDSITLRIDANQGWSVETA
IETLTLLEPYNIQHCEEPVSRNLYTALPKIRQACRIPIMADESCCNSFDA
ERLIQIQACDSFNLKLSKSAGITNALNIIRLAEQAHMPVQVGGFLESRLG
FTAAAHVALVSKTICYYDFDTPLMFEADPVRGGIVYQQRGIIEVPETAGL
GAGYQKDYLSGLEKICIN

Ligand information

Ligand ID

DAL

InChI

InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1

InChIKey

QNAYBMKLOCPYGJ-UWTATZPHSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C(=O)O)N
CACTVS 3.341	C[CH](N)C(O)=O
CACTVS 3.341	C[C@@H](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)C
OpenEye OEToolkits 1.5.0	C[C@H](C(=O)O)N

Formula

C3 H7 N O2

Name

D-ALANINE

PDB chain

3q4d Chain G Residue 2482 [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	3q4d Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Resolution	3.0 Å
Binding residue (original residue number in PDB)	F19 K162 G293 D318 D320
Binding residue (residue number reindexed from 1)	F19 K162 G293 D318 D320
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	F19 P50 T53 T135 K160 K162 D190 N192 E216 D241 E242 S243 K265 G292 G293 F294 Y317 D318 F319
Catalytic site (residue number reindexed from 1)	F19 P50 T53 T135 K160 K162 D190 N192 E216 D241 E242 S243 K265 G292 G293 F294 Y317 D318 F319
Enzyme Commision number	5.1.1.-

Gene Ontology

	Molecular Function
GO:0000287	magnesium ion binding
GO:0016853	isomerase activity
GO:0016854	racemase and epimerase activity
GO:0016855	racemase and epimerase activity, acting on amino acids and derivatives
GO:0046872	metal ion binding

	Biological Process
GO:0006518	peptide metabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:3q4d, PDBe:3q4d, PDBj:3q4d
PDBsum	3q4d
PubMed	22392983
UniProt	Q11T61\|AAEP_CYTH3 D-Ala-D/L-Ala epimerase (Gene Name=tfdD)

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