Structure of PDB 3r25 Chain H Binding Site BS01

Receptor Information
>3r25 Chain H (length=395) Species: 391574 (Vibrionales bacterium SWAT-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKETIISDIHCIITKPDRHNLITVVVETNEGVTGFGCATFQQRPLAVKTM
VDEYLKPILIGKNANNIEDLWQMMMVNAYWRNGPVINNAISGVDMALWDI
KAKLAGMPLHQLFGGKSRDAIPVYTHATSDTMEGIYDLVEGFLEKGYKHI
RCQLGFYGGLHTTQNPTEGSYYDQDQYMDNTLTMFKSLREKYGNQFHILH
DVHERLFPNQAIQFAKEVEQYKPYFIEDILPPNQTEWLDNIRSQSSVSLG
LGELFNNPEEWKSLIANRRIDFIRCHVSQIGGITPALKLGHLCQNFGVRI
AWHCPPDMTPIGAAVNTHLNVHLHNAAIQEHVEYNGNTHKVFPNAAEPIN
GYLYASEIAGIGVEIDREAAAEFPVMYRPHEWTQSRLPDGAIHTP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3r25 Chain H Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3r25 Crystal structure of enolase superfamily member from VIBRIONALES BACTERIUM complexed with Mg and Glycerol in the active site
Resolution1.603 Å
Binding residue
(original residue number in PDB)		D207 E233 E259
Binding residue
(residue number reindexed from 1)		D201 E227 E253
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F42 R45 Y126 R153 Q155 D207 H209 E233 G258 E259 L260 R280 H282 H309 P311 E336 N341 P401
Catalytic site (residue number reindexed from 1) F40 R43 Y124 R151 Q153 D201 H203 E227 G252 E253 L254 R274 H276 H303 P305 E330 N335 P395
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0046872 metal ion binding
Biological Process
GO:0009063 amino acid catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3r25, PDBe:3r25, PDBj:3r25
PDBsum3r25
PubMed
UniProtA5KUH4|IMAND_VIBBS D-galactonate dehydratase family member VSWAT3_13707 (Gene Name=VSWAT3_13707)

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