Structure of PDB 2hmc Chain A Binding Site BS02

Receptor Information
>2hmc Chain A (length=314) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YFQGMTASIFSGVIPALMTPCRQDRTPDFDALVRKGKELIADGMSAVVYC
GSMGDWPLLTDEQRMEGVERLVKAGIPVIVGTGAVNTASAVAHAVHAQKV
GAKGLMVIPRVLSRGSVIAAQKAHFKAILSAAPEIPAVIYNSPYYGFATR
ADLFFALRAEHKNLVGFKEFGGPADMRYAAENITSRDDEVTLMIGVDTAV
VHGFVNCGATGAITGIGNVLPKEVIHLCKLSQAAAKGDADARARALELEQ
ALAVLSSFDEGPDLVLYFKYMMVLKGDKEYTLHFNETDALTDSQRGYVEA
QFKLFNSWYADWSK
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 chain2hmc Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2hmc The Crystal Structure of Dihydrodipicolinate Synthase DapA from Agrobacterium tumefaciens
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A80 P105
Binding residue
(residue number reindexed from 1)		A84 P109
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S48 L108 Y136 Y141 K164 I209
Catalytic site (residue number reindexed from 1) S52 L112 Y140 Y145 K168 I213
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0008840 4-hydroxy-tetrahydrodipicolinate synthase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2hmc, PDBe:2hmc, PDBj:2hmc
PDBsum2hmc
PubMed
UniProtA9CGZ4

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