Structure of PDB 7sbh Chain A Binding Site BS01

Receptor Information
>7sbh Chain A (length=208) Species: 466088 (Acinetobacter sp. Ver3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTTITLPALPYGYEDLAPHISKETLEYHHDKHHNTYVVNLNNLIAGTDLE
GKTLEEIIKASVGDASKAGIFNNAAQVWNHTFYWNCMAKNGGGKATGALA
AKIDEAFGSYEKFAEEFAAAATTQFGSGWAWLVADEVNGKLSIMKTSNAD
TPLAHGKVAVLTIDVWEHAYYIDFRNARPKYISTFLESLVNWDYANAKYA
GQEAGVEK
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain7sbh Chain A Residue 301 [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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PDB7sbh The distinctive roles played by the superoxide dismutases of the extremophile Acinetobacter sp. Ver3.
Resolution1.34 Å
Binding residue
(original residue number in PDB)		I4 T5 P7 L54 V77 W78 T81 E207 K208
Binding residue
(residue number reindexed from 1)		I4 T5 P7 L54 V77 W78 T81 E207 K208
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004784 superoxide dismutase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7sbh, PDBe:7sbh, PDBj:7sbh
PDBsum7sbh
PubMed35279679
UniProtA0A031LR83

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