Structure of PDB 2cvc Chain A Binding Site BS06

Receptor Information
>2cvc Chain A (length=500) Species: 881 (Nitratidesulfovibrio vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKRADLIEIGAMERFGKLDLPKVAFRHDQHTTAVTGMGKDCAACHKSKDG
KMSLKFMRLDDNSAAELKEIYHANCIGCHTDLAKAGKKTGPQDGECRSCH
NPKPSAASSWKEIGFDKSLHYRHVASKAIKPVGDPQKNCGACHHVYDEAS
KKLVWGKNKEDSCRACHGEKPVDKRPALDTAAHTACISCHMDVAKTKAET
GPVNCAGCHAPEAQAKFKVVREVPRLDRGQPDAALILPVPGKDAPREMKG
TMKPVAFDHKAHEAKANDCRTCHHVRIDTCTACHTVNGTADSKFVQLEKA
MHQPDSMRSCVGCHNTRVQQPTCAGCHGFIKPTKSDAQCGVCHVAAPGFD
AKQVEAGALLNLKAEQRSQVAASMLSARPQPKGTFDLNDIPEKVVIGSIA
KEYQPSEFPHRKIVKTLIAGIGEDKLAATFHIEKGTLCQGCHHNSPASLT
PPKCASCHGKPDRPGLKAAYHQQCMGCHDRMKIEKPANTACVDCHKERAK
Ligand information
Ligand IDHEC
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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKeyHXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
FormulaC34 H34 Fe N4 O4
NameHEME C
ChEMBL
DrugBank
ZINC
PDB chain2cvc Chain A Residue 1006 [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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PDB2cvc Structure of High-Molecular Weight Cytochrome c
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F154 R161 H162 C181 C225 C228 H229 E238 T239 G240 P241 F256
Binding residue
(residue number reindexed from 1)		F115 R122 H123 C142 C186 C189 H190 E199 T200 G201 P202 F217
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:2cvc, PDBe:2cvc, PDBj:2cvc
PDBsum2cvc
PubMed
UniProtP24092|HMWC_NITV2 High-molecular-weight cytochrome c (Gene Name=hmcA)

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