Structure of PDB 1fcb Chain A Binding Site BS01

Receptor Information
>1fcb Chain A (length=494) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPKLDMNKQKISPAEVAKHNKPDDCWVVINGYVYDLTRFLPNHPGGQDVI
KFNAGKDVTAIFEPLHAPNVIDKYIAPEKKLGPLQGSMPPELVCPPYAPG
ETKEDIARKEQLKSLLPPLDNIINLYDFEYLASQTLTKQAWAYYSSGAND
EVTHRENHNAYHRIFFKPKILVDVRKVDISTDMLGSHVDVPFYVSATALC
KLGNPLEGEKDVARGCGQGVTKVPQMISTLASCSPEEIIEAAPSDKQIQW
YQLYVNSDRKITDDLVKNVEKLGVKALFVTVDAPSLGQREKDMKLKFSNG
ASRALSKFIDPSLTWKDIEELKKKTKLPIVIKGVQRTEDVIKAAEIGVSG
VVLSNHGGRQLDFSRAPIEVLAETMPILEQRNLKDKLEVFVDGGVRRGTD
VLKALCLGAKGVGLGRPFLYANSCYGRNGVEKAIEILRDEIEMSMRLLGV
TSIAELKPDLLDLSTLKARTVGVPNDVLYNEVYEGPTLTEFEDA
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain1fcb Chain A Residue 560 [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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PDB1fcb Molecular structure of flavocytochrome b2 at 2.4 A resolution.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F39 H43 P44 V49 I50 V58 F62 H66 V70 I75 Y97 Y143 L199 L230 K296
Binding residue
(residue number reindexed from 1)		F39 H43 P44 V49 I50 V58 F62 H66 V70 I75 Y97 Y143 L199 L230 K296
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S228 Y254 T280 D282 K349 H373
Catalytic site (residue number reindexed from 1) S228 Y254 T280 D282 K332 H356
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:1fcb, PDBe:1fcb, PDBj:1fcb
PDBsum1fcb
PubMed2329585
UniProtP00175|CYB2_YEAST L-lactate dehydrogenase (cytochrome) (Gene Name=CYB2)

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