Structure of PDB 7ocp Chain A Binding Site BS01

Receptor Information
>7ocp Chain A (length=688) 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
CLGLSATTAEKLAQRLYGVDVPYKEIRKRADEMELEHIRKHGVPIKKGLV
QVLERLRKSGLRMAVATSSRRAIAEEYLINANVYKFFDVITCGDEVEQGK
PHPEIFLKAASQLHLDANQCLMFEDSENGLTSAHTSKGLTILLKDIKEPN
DEMLEKAHFYYDQMYDFLTDLDQFIPVMDMPEMQEPFPQSLNQLTVGIHG
FGAIGGGYIAQILSHWDGYTKPKRIIASTRNSLFREAVNAFGTYSIRYGQ
FSYDERIENMSIVDSDNEQQMLEMYTHSSLIALCLPEQAIESESKIIAKG
LYARFNSQLIEPLTFLIILNKVGAKYLVMKHLKEALLELTNDEDVTEHIL
KEHYFCDTVVNRMVSKLSNQNLYRQLRIKHNFLEQHLEDVEQEDQIEIED
CNKLTPDQLNQASIYVDNMRRNFQPGHILQSMDLILFHSETDMPIYVEKG
SPLLEKLRQVVLVDQITDIQLIKNRLWNGVHAMLAWYASLMGYESIGVAM
GDHLVKAFAENLIAEVKQGLAIVLPNYAKDLDRMSQSFLDSCEYAFKDPC
QRVARDPLRKLNHNERVMASIAVNIRHDLPYKNLLKGAALGYAYAIQFLE
IEETKAVEHLQQQIQNLDLSTAQRRQLEAELVQLIQYL
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 chain7ocp Chain A 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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PDB7ocp Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		D16 D18 D176
Binding residue
(residue number reindexed from 1)		D15 D17 D175
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:7ocp, PDBe:7ocp, PDBj:7ocp
PDBsum7ocp
PubMed35363566
UniProtD0C7J2

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