Structure of PDB 5o0t Chain A Binding Site BS01

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 504 [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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PDB5o0t Crystal structures and atomic model of NADPH oxidase.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		I269 M273 H299 G303 F348 M351 A355 R360 F368 H372 Y375 W378
Binding residue
(residue number reindexed from 1)		I63 M67 H93 G97 F142 M145 A149 R154 F162 H166 Y169 W172
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links