Structure of PDB 19hc Chain A Binding Site BS07
Receptor Information
>19hc Chain A (length=292) Species:
876
(Desulfovibrio desulfuricans) [
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AALEPTDSGAPSAIVMFPVGEKPNPKGAAMKPVVFNHLIHEKKIADCETC
HHTGDPVSCSTCHTVEGKAEGDYITLDRAMHATDIAARAKGNTPTSCVSC
HQSETKERRECAGCHAITTPKDDEAWCATCHDITPSMTPSEMQKGIAGTL
LPGDNEALAAETVLAEATVAPVSPMLAPYKVVIDALADKYEPSDFTHRRH
LTSLMESIKDDKLAQAFHDKPEILCATCHHRSPLSLTPPKCGSCHTKEID
AADPGRPNLMAAYHLECMGCHKGMAVARPRDTDCTTCHKAAA
Ligand information
Ligand ID
HEM
InChI
InChI=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-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(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 3.385
CC1=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 12.01
C=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
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
19hc Chain A Residue 307 [
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Receptor-Ligand Complex Structure
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PDB
19hc
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.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
H230 R231 C241 C244 H245 R256 P257 A262 E266
Binding residue
(residue number reindexed from 1)
H230 R231 C241 C244 H245 R256 P257 A262 E266
Annotation score
4
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
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Cellular Component
External links
PDB
RCSB:19hc
,
PDBe:19hc
,
PDBj:19hc
PDBsum
19hc
PubMed
10368280
UniProt
Q9RN68
|CYC9_DESDA Nine-heme cytochrome c (Gene Name=Ddes_2038)
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