Structure of PDB 4mgg Chain F Binding Site BS01

Receptor Information

>4mgg Chain F (length=362) Species: 384765 (Roseibium aggregatum IAM 12614) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HMKITAINVFQVDLPLREGRYSWSNGNFVEVFDSTVVEIETDEGLKGYAE
CCPLSYALGVRSGLQELAPHLIGKDPLNIGEINRVMDAALRGHPYAKAPI
DIACWDLLGKATGQPLYTLLGGAAQDDVALYRAISQEAPEIMAKKIEGYA
AEGYTKFQLKVGGDANDDINRIHATRSVLKKSDLLVADANTGWTRHEAAR
VVGAVSSLDVYIEQPCLTYEESVSIRRRTALPFVLDEVIDGPNTLVRGIA
EDAMDCINLKISKVGGLTKAKLMRDLCIAHGIPMTIEDTWGGDIVTAAIA
HLARSTPSEFTFSATDFNSYGTVDIAEGAPKRVNGRMTTSDLPGLGITPI
FDVLGEPVARYS

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

4mgg Chain F Residue 402 [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	4mgg Crystal structure of an enolase (mandelate racemase subgroup) from labrenzia aggregata iam 12614 (target nysgrc-012903) with bound mg, space group p212121
Resolution	2.2 Å
Binding residue (original residue number in PDB)	D193 E218 D241
Binding residue (residue number reindexed from 1)	D188 E213 D236
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	Y20 P52 L95 A138 Q163 K165 A192 D193 A194 N195 Y216 E218 Q219 D241 E242 V243 N263 K265 E292 D293 T294 W295 D298 E314 S318 A319 T320
Catalytic site (residue number reindexed from 1)	Y21 P53 L90 A133 Q158 K160 A187 D188 A189 N190 Y211 E213 Q214 D236 E237 V238 N258 K260 E287 D288 T289 W290 D293 E309 S313 A314 T315
Enzyme Commision number	4.2.1.171: cis-L-3-hydroxyproline dehydratase.

Gene Ontology

	Molecular Function
GO:0000287	magnesium ion binding
GO:0003824	catalytic activity
GO:0016597	amino acid binding
GO:0016829	lyase activity
GO:0016836	hydro-lyase activity
GO:0016853	isomerase activity
GO:0046872	metal ion binding

	Biological Process
GO:0071230	cellular response to amino acid stimulus
GO:1901605	alpha-amino acid metabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:4mgg, PDBe:4mgg, PDBj:4mgg
PDBsum	4mgg
PubMed
UniProt	A0NXQ8\|C3HPD_ROSAI Cis-3-hydroxy-L-proline dehydratase (Gene Name=SIAM614_28497)

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