Structure of PDB 1szf Chain B Binding Site BS01

Receptor Information
>1szf Chain B (length=389) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GETKEDIARKEQLKSLLPPLDNIINLYDFEYLASQTLTKQAWAYYSSGAN
DEVTHRENHNAYHRIFFKPKILVDVRKVDISTDMLGSHVDVPFYVSATGL
CKLGNPLEGEKDVARGCGQGVTKVPQMISTAASCSPEEIIEAAPSDKQIQ
WYQLYVNSDRKITDDLVKNVEKLGVKALFVTVDAPSLGQREKDMKLKFAL
SKFIDPSLTWKDIEELKKKTKLPIVIKGVQRTEDVIKAAEIGVSGVVLSN
HGGRQLDFSRAPIEVLAETMPILEQRNLKDKLEVFVDGGVRRGTDVLKAL
CLGAKGVGLGRPFLYANSCYGRNGVEKAIEILRDEIEMSMRLLGVTSIAE
LKPDLLDLSTLKARTVGVPNDVLYNEVYEGPTLTEFEDA
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 chain1szf Chain B Residue 9570 [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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PDB1szf Altered Substrate Specificity in Flavocytochrome b(2): Structural Insights into the Mechanism of l-Lactate Dehydrogenation
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y143 Y144 S195 A196 T197 G198 S228 Q252 Y254 T280 K349 H373 G374 R376 D409 G410 G411 R413 G432 R433
Binding residue
(residue number reindexed from 1)		Y44 Y45 S96 A97 T98 G99 S129 Q153 Y155 T181 K227 H251 G252 R254 D287 G288 G289 R291 G310 R311
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S228 Y254 T280 D282 K349 H373
Catalytic site (residue number reindexed from 1) S129 Y155 T181 D183 K227 H251
Enzyme Commision number 1.1.2.3: L-lactate dehydrogenase (cytochrome).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:1szf, PDBe:1szf, PDBj:1szf
PDBsum1szf
PubMed15260495
UniProtP00175|CYB2_YEAST L-lactate dehydrogenase (cytochrome) (Gene Name=CYB2)

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