Structure of PDB 7emv Chain A Binding Site BS01

Receptor Information
>7emv Chain A (length=183) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSISISYSTTYSGWTVADYLADWSAYFGDVNHRPGQGVDGSNTGGFNPGP
FDGSQYALKSTASDAAFIAGGDLHYTLFSNPSHTLWGKLDSIALGDTLTG
GASSGGYALDSQEVSFSNLGLDSPIAQGRDGTVHKVVYGLMSGDSSALQG
QIDALLKAVDPSLSINSTFDQLAAAGVAHATPA
Ligand information
Ligand IDWXP
InChIInChI=1S/C38H24N4.Fe/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34;/h1-24H;/q-2;+2/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-;
InChIKeyRLGQLJRFCYPMST-ZBSPJBKZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1
CACTVS 3.385[Fe]1n2c3ccc2C(=C4C=CC(=N4)C(=C5C=CC(=C(c6ccccc6)C7=NC(=C3)C=C7)[N]15)c8ccccc8)c9ccccc9
CACTVS 3.385[Fe]1n2c3ccc2C(=C4C=CC(=N4)C(=C5C=CC(=C(c6ccccc6)C7=NC(=C3)C=C7)[N@]15)c8ccccc8)c9ccccc9
FormulaC38 H24 Fe N4
Name5,10,15-Triphenylporphyrin cpntaining FE
ChEMBL
DrugBank
ZINC
PDB chain7emv Chain A Residue 201 [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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PDB7emv Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H32 R33 P34 T43 P50 F51 Y56 Y75 H83 R129 H134 Y138 M141
Binding residue
(residue number reindexed from 1)		H32 R33 P34 T43 P50 F51 Y56 Y75 H83 R129 H134 Y138 M141
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links