Structure of PDB 5o0t Chain A Binding Site BS02

Receptor Information
>5o0t Chain A (length=206) Species: 56107 (Cylindrospermum stagnale PCC 7417) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSAYIKYYIENNWVKIAFLALYVFVNMFFFMSAVEKYESQGANLYVQIAR
GCGATLNLNGALILIPMLRHFMTWLRKTTINNYIPIDESIEFHKLVGQVM
FALAIVHTGAHFLNYTTLPIPFAQSLFGTKAGISGFLLLLVFIIMWVTAQ
APIRKGGKFALFYIAHMGYVLWFALALIHGPVFWQWVLLPVVGFIIELVI
RWKAAE
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 chain5o0t Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5o0t Crystal structures and atomic model of NADPH oxidase.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		R256 G259 L262 N263 H313 T314 H317 Y321 A337 G341 F342 L344 L345 H385
Binding residue
(residue number reindexed from 1)		R50 G53 L56 N57 H107 T108 H111 Y115 A131 G135 F136 L138 L139 H179
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links