Structure of PDB 1ft5 Chain A Binding Site BS02
Receptor Information
>1ft5 Chain A (length=211) Species:
915
(Nitrosomonas europaea) [
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ADAPFEGRKKCSSCHKAQAQSWKDTAHAKAMESLKPNVKKEAKQKAKLDP
AKDYTQDKDCVGCHVDGFGQKGGYTIESPKPMLTGVGCESCHGPGRNFRG
DHRKSGQAFEKSGKKTPRKDLAKKGQDFHFEERCSACHLNYEGSPWKGAK
APYTPFTPEVDAKYTFKFDEMVKEVKAMHEHYKLEGVFEGEPKFKFHDEF
QASAKPAKKGK
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
1ft5 Chain A Residue 214 [
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Receptor-Ligand Complex Structure
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PDB
1ft5
High-resolution structures of the oxidized and reduced states of cytochrome c554 from Nitrosomonas europaea.
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
S33 L34 K39 A42 Y54 D59 C60 C63 H64 C137 H138 N140 P152 Y153 T154 P155 F156 Y164
Binding residue
(residue number reindexed from 1)
S33 L34 K39 A42 Y54 D59 C60 C63 H64 C137 H138 N140 P152 Y153 T154 P155 F156 Y164
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0046872
metal ion binding
Cellular Component
GO:0042597
periplasmic space
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Molecular Function
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Cellular Component
External links
PDB
RCSB:1ft5
,
PDBe:1ft5
,
PDBj:1ft5
PDBsum
1ft5
PubMed
11372197
UniProt
Q57142
|C554_NITEU Cytochrome c-554 (Gene Name=cycA1)
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