Structure of PDB 7ocs Chain D Binding Site BS01

Receptor Information
>7ocs Chain D (length=685) 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]
VLIFHGKPVHGAIFAMDGTMFDTERLRFQTLQQASQELIGQEFSHEYLMQ
CLGLSATTAEKLAQRLYGVDVPYKEIRKRADEMELEHIRKHGVPIKKGLV
QVLERLRKSGLRMAVATSSRRAIAEEYLINANVYKFFDVITCGDEVEQGK
PHPEIFLKAASQLHLDANQCLMFEDSENGLTSAHTSKGLTILLKDIKEPN
DEMLEKAHFYYDQMYDFLTDLDQFIPVMDMPEMQEPFPQSLNQLTVGIHG
FGAIGGGYIAQILSHWDGYTKPKRIIASTRNSLFREAVNAFGTYSIRYGQ
FSYDERIENMSIVDSDNEQQMLEMYTHSSLIALCLPEQAIESESKIIAKG
LYARFNSIEPLTFLIILNKVGAKYLVMKHLKEALLELTNDEDVTEHILKE
HYFCDTVVNRMVSKLSNQNLYRQLRIKHNFLEQHLEDVQIEIEDCNKLTP
DQLNQASIYVDNMRRNFQPGHILQSMDLILFHSETDMPIYVEKGSPLLEK
LRQVVLVDQITDIQLIKNRLWNGVHAMLAWYASLMGYESIGVAMGDHLVK
AFAENLIAEVKQGLAIVLPNYAKDLDRMSQSFLDSCEYAFKDPCQRVARD
PLRKLNHNERVMASIAVNIRHDLPYKNLLKGAALGYAYAIQFLEIEETKA
VEHLQQQIQNLDLSTAQRRQLEAELVQLIQYLFSE
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 chain7ocs Chain D Residue 808 [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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PDB7ocs Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		M17 D18 E25 R28 L32 C52 L53 L55 T118 S119 K151
Binding residue
(residue number reindexed from 1)		M16 D17 E24 R27 L31 C51 L52 L54 T117 S118 K150
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:7ocs, PDBe:7ocs, PDBj:7ocs
PDBsum7ocs
PubMed35363566
UniProtD0C7J2

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