Structure of PDB 7ocu Chain B Binding Site BS01

Receptor Information
>7ocu Chain B (length=679) Species: 575584 (Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLIFHGKPVHGAIFDMDGTMFDTERLRFQTLQQASQELIGQEFSHEYLMQ
CLGLSATTAEKLAQRLYYKEIRKRADEMELEHIRKHGVPIKKGLVQVLER
LRKSGLRMAVATSSRRAIAEEYLINANVYKFFDVITCGDEVEQGKPHPEI
FLKAASQLHLDANQCLMFEDSENGLTSAHTSKGLTILLKDIKEPNDEMLE
KAHFYYDQMYDFLTDLDQFIPVMDMPEMQEPFPQSLNQLTVGIHGFGAIG
GGYIAQILSHWDGYTKPKRIIASTRNSLFREAVNAFGTYSIRYGQFSYDE
RIENMSIVDSDNEQQMLEMYTHSSLIALCLPEQAIESESKIIAKGLYARF
NSQIEPLTFLIILAKVGAKYLVMKHLKEALLELTNDEDVTEHILKEHYFC
DTVVNRMVSKLSNQNLYRQLRIKHNFLEQHLEDVEEIEDCNKLTPDQLNQ
ASIYVDNMRRNFQPGHILQSMDLILFHSETDMPIYVEKGSPLLEKLRQVV
LVDQITDIQLIKNRLWNGVHAMLAWYASLMGYESIGVAMGDHLVKAFAEN
LIAEVKQGLAIVLPNYAKDLDRMSQSFLDSCEYAFKDPCQRVARDPLRKL
NHNERVMASIAVNIRHDLPYKNLLKGAALGYAYAIQFLEIEETKAVEHLQ
QQIQNLDLSTAQRRQLEAELVQLIQYLFS
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 chain7ocu Chain B Residue 802 [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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PDB7ocu Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D16 E175 D176
Binding residue
(residue number reindexed from 1)		D15 E169 D170
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7ocu, PDBe:7ocu, PDBj:7ocu
PDBsum7ocu
PubMed35363566
UniProtD0C7J2

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