Structure of PDB 2cvc Chain A Binding Site BS13
Receptor Information
>2cvc Chain A (length=500) Species:
881
(Nitratidesulfovibrio vulgaris) [
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EKRADLIEIGAMERFGKLDLPKVAFRHDQHTTAVTGMGKDCAACHKSKDG
KMSLKFMRLDDNSAAELKEIYHANCIGCHTDLAKAGKKTGPQDGECRSCH
NPKPSAASSWKEIGFDKSLHYRHVASKAIKPVGDPQKNCGACHHVYDEAS
KKLVWGKNKEDSCRACHGEKPVDKRPALDTAAHTACISCHMDVAKTKAET
GPVNCAGCHAPEAQAKFKVVREVPRLDRGQPDAALILPVPGKDAPREMKG
TMKPVAFDHKAHEAKANDCRTCHHVRIDTCTACHTVNGTADSKFVQLEKA
MHQPDSMRSCVGCHNTRVQQPTCAGCHGFIKPTKSDAQCGVCHVAAPGFD
AKQVEAGALLNLKAEQRSQVAASMLSARPQPKGTFDLNDIPEKVVIGSIA
KEYQPSEFPHRKIVKTLIAGIGEDKLAATFHIEKGTLCQGCHHNSPASLT
PPKCASCHGKPDRPGLKAAYHQQCMGCHDRMKIEKPANTACVDCHKERAK
Ligand information
Ligand ID
HEC
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,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-;
InChIKey
HXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=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 1.5.0
CC=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 3.341
C\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 3.341
CC=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
Formula
C34 H34 Fe N4 O4
Name
HEME C
ChEMBL
DrugBank
ZINC
PDB chain
2cvc Chain A Residue 1013 [
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Receptor-Ligand Complex Structure
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PDB
2cvc
Structure of High-Molecular Weight Cytochrome c
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
I429 F447 H449 V453 C477 C480 H481 L488 P490 K492 C493 Y515
Binding residue
(residue number reindexed from 1)
I390 F408 H410 V414 C438 C441 H442 L449 P451 K453 C454 Y470
Annotation score
4
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
PDBsum
2cvc
PubMed
UniProt
P24092
|HMWC_NITV2 High-molecular-weight cytochrome c (Gene Name=hmcA)
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