Structure of PDB 7ocu Chain B Binding Site BS02

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 ID44H
InChIInChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
InChIKeyGACTWZZMVMUKNG-KVTDHHQDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C([C@H]([C@H]([C@@H](C(CO)O)O)O)O)OP(=O)(O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O
CACTVS 3.385OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)C(O)C(O)C(O)CO)(O)O
FormulaC6 H15 O9 P
NameD-Mannitol-1-phosphate;
1-O-phosphono-D-mannitol
ChEMBL
DrugBank
ZINCZINC000003869812
PDB chain7ocu Chain B Residue 805 [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)		N415 R416 K527 N532 H535 R606 R609 R613 K614 R620
Binding residue
(residue number reindexed from 1)		N405 R406 K512 N517 H520 R591 R594 R598 K599 R605
Annotation score1
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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