Structure of PDB 7ocr Chain B Binding Site BS02

Receptor Information
>7ocr Chain B (length=675) 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
CLGLSATTAEKLAQRLYKEIRKRADEMELEHIRKHGVPIKKGLVQVLERL
RKSGLRMAVATSSRRAIAEEYLINANVYKFFDVITCGDEVEQGKPHPEIF
LKAASQLHLDANQCLMFEDSENGLTSAHTSKGLTILLKDIKEPNDEMLEK
AHFYYDQMYDFLTDLDQFIPVMDMPEMQEPFPQSLNQLTVGIHGFGAIGG
GYIAQILSHWDGYTKPKRIIASTRNSLFREAVNAFGTYSIRYGQFSYDER
IENMSIVDSDNEQQMLEMYTHSSLIALCLPEQAIESESKIIAKGLYARFN
SQEPLTFLIILNKVGAKYLVMKHLKEALLELTNDEDVTEHILKEHYFCDT
VVNRMVSKLSNQNLYRQLRIKHNFLEQHLEDVEEDCNKLTPDQLNQASIY
VDNMRRNFQPGHILQSMDLILFHSETDMPIYVEKGSPLLEKLRQVVLVDQ
ITDIQLIKNRLWNGVHAMLAWYASLMGYESIGVAMGDHLVKAFAENLIAE
VKQGLAIVLPNYAKDLDRMSQSFLDSCEYAFKDPCQRVARDPLRKLNHNE
RVMASIAVNIRHDLPYKNLLKGAALGYAYAIQFLEIEETKAVEHLQQQIQ
NLDLSTAQRRQLEAELVQLIQYLFS
Ligand information
Ligand IDF6R
InChIInChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1
InChIKeyGSXOAOHZAIYLCY-HSUXUTPPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OCC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.6C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O
ACDLabs 12.01C(C(C(C(C(COP(O)(O)=O)O)O)O)=O)O
OpenEye OEToolkits 1.7.6C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O
CACTVS 3.385OCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
FormulaC6 H13 O9 P
NameFRUCTOSE -6-PHOSPHATE
ChEMBL
DrugBankDB04493
ZINCZINC000085994845
PDB chain7ocr Chain B Residue 807 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7ocr Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		N374 N415 K527 N532 H535 R606 R609 R613 K614 R620
Binding residue
(residue number reindexed from 1)		N362 N403 K508 N513 H516 R587 R590 R594 K595 R601
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:7ocr, PDBe:7ocr, PDBj:7ocr
PDBsum7ocr
PubMed35363566
UniProtD0C7J2

[Back to BioLiP]