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Receptor Information

>7vm1 Chain D (length=182) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SISISYSTTYSGWTVADYLADWSAYFGDVNHRPGQVVDGSNTGGFNPGPF
DGSQYALKSTASDAAFIAGGDLHYTLFSNPSHTLWGKLDSIALGDTLTGG
ASSGGYALDSQEVSFSNLGLDSPIAQGRDGTVHKVVYGLMSGDSSALQGQ
IDALLKAVDPSLSINSTFDQLAAAGVAHATPA

Ligand ID

7OH

InChI

InChI=1S/C40H24N8.Fe/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;/h1-24H;/q-2;+2/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;

InChIKey

DUVWLFDRXHMGJM-GFPSKMGBSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2n3c1C(=C4C=CC5=[N]4[Fe]36N7C(=C5c8ccncc8)C=CC7=C(C9=[N]6C(=C2c1ccncc1)C=C9)c1ccncc1)c1ccncc1
CACTVS 3.385	[Fe]1N2C3=C(c4ccncc4)C5=NC(=C(c6ccncc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccncc9)c%10ccncc%10)C=C5

Formula

C40 H24 Fe N8

Name

Fe-Tetra(4-pyridyl)porphyrin

ChEMBL

DrugBank

ZINC

PDB chain

7vm1 Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7vm1 Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	H32 P34 V37 T43 P50 F51 Y75 H83 L85 R129 H134 V137 Y138 M141
Binding residue (residue number reindexed from 1)	H31 P33 V36 T42 P49 F50 Y74 H82 L84 R128 H133 V136 Y137 M140
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0046872	metal ion binding

PDB	RCSB:7vm1, PDBe:7vm1, PDBj:7vm1
PDBsum	7vm1
PubMed	35352458
UniProt	G3XD33

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Structure of PDB 7vm1 Chain D Binding Site BS01