Structure of PDB 19hc Chain B Binding Site BS01

Receptor Information
>19hc Chain B (length=292) Species: 876 (Desulfovibrio desulfuricans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AALEPTDSGAPSAIVMFPVGEKPNPKGAAMKPVVFNHLIHEKKIADCETC
HHTGDPVSCSTCHTVEGKAEGDYITLDRAMHATDIAARAKGNTPTSCVSC
HQSETKERRECAGCHAITTPKDDEAWCATCHDITPSMTPSEMQKGIAGTL
LPGDNEALAAETVLAEATVAPVSPMLAPYKVVIDALADKYEPSDFTHRRH
LTSLMESIKDDKLAQAFHDKPEILCATCHHRSPLSLTPPKCGSCHTKEID
AADPGRPNLMAAYHLECMGCHKGMAVARPRDTDCTTCHKAAA
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 chain19hc Chain B 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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PDB19hc The primary and three-dimensional structures of a nine-haem cytochrome c from Desulfovibrio desulfuricans ATCC 27774 reveal a new member of the Hmc family.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S8 A10 I14 M16 F35 H37 H40 I44 C47 C50 H51 P56 S58
Binding residue
(residue number reindexed from 1)		S8 A10 I14 M16 F35 H37 H40 I44 C47 C50 H51 P56 S58
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:19hc, PDBe:19hc, PDBj:19hc
PDBsum19hc
PubMed10368280
UniProtQ9RN68|CYC9_DESDA Nine-heme cytochrome c (Gene Name=Ddes_2038)

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