Structure of PDB 8oh5 Chain K Binding Site BS03

Receptor Information
>8oh5 Chain K (length=584) Species: 1123288 (Sporomusa ovata DSM 2662) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVRVGLGSCGIAAGGRKVMDRLAQEIKNHGKEIELLPTGCIGMCFYEPI
VDVFDGDKVYSYANVTADMATEIFNSHIIGGQPLTQYIVSTTEKPYTILA
KQVRIALRNCGVIDPENVDEYKANDGYKALSKALKEMTPEEVIEEIKVAG
LRGRGGAGFPTWFKWNAARQSKGEIKYVVCNADEGDPGAFMDRSVLEGDP
HALLEGMAICGYAIGANEGHIYCRAEYPLAIKRLEIAIADAKQRNLLGKN
IMGTNFSFDMKIKKGAGAFVCGEETALIASLEGERGMPRLKPPFPAQSGF
WGKPTNINNVETFANVPWIMYNGGSAYAAYGTEKSKGTKVFALAGKIKNG
GLVEVPMGMSLREVIYDIGGGILNDREFKAVQMGGPSGGCIPKQLLDTPV
DYDSINKTGAIMGSGGMIVMDETTCMVDMARFFLDFTVKESCGKCIYCRI
GTKRMLEILERITTGEGREGDIEELEELSISIKDGSLCGLGQTAPNPVLT
TIRYFRDEYEAHIRDKKCPAKSCKPLLTYTINQDNCKGCTLCAQKCPVQA
ITGEKKKPHVIDQALCTKCGNCASVCRLDAVCIE
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 chain8oh5 Chain K Residue 603 [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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PDB8oh5 Molecular architecture and electron transfer pathway of the Stn family transhydrogenase.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R154 K164 N181 F269 E273 E274 I307 N308 N309 G489 L490
Binding residue
(residue number reindexed from 1)		R154 K164 N181 F269 E273 E274 I307 N308 N309 G489 L490
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.1.2: hydrogen dehydrogenase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0047985 hydrogen dehydrogenase activity
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:8oh5, PDBe:8oh5, PDBj:8oh5
PDBsum8oh5
PubMed37673911
UniProtA0A0U1KYM9

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