Structure of PDB 5xhl Chain B Binding Site BS01

Receptor Information
>5xhl Chain B (length=184) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSISISYSTTYSGWTVADYLADWSAYFGDVNHRPGQVVDGSNTGGFNPGP
FDGSQYALKSTASDAAFIAGGDLHYTLFSNPSHTLWGKLDSIALGDTLTG
GASSGGYALDSQEVSFSNLGLDSPIAQGRDGTVHKVVYGLMSGDSSALQG
QIDALLKAVDPSLSINSTFDQLAAAGVAHATPAA
Ligand information
Ligand IDVPC
InChIInChI=1S/C32H16N8.Ga/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2
InChIKeyWBSOKGMOXCALAG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c3n4c2N=C5c6ccccc6C7=[N]5[Ga]48N9C(=NC1=[N]8C(=N3)c2c1cccc2)c1ccccc1C9=N7
CACTVS 3.385[Ga]1N2C3=NC4=NC(=Nc5n1c(N=C6N=C(N=C2c7ccccc37)c8ccccc68)c9ccccc59)c%10ccccc4%10
FormulaC32 H16 Ga N8
NamePhthalocyanine containing GA;
Gallium(III)-phthalocyanine
ChEMBL
DrugBank
ZINC
PDB chain5xhl Chain B 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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PDB5xhl Crystal Structure of HasAp with Gallium Phthalocyanine
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H32 V37 T43 F51 Y56 Y75 F78 H83 L85 R129 V137 Y138 M141
Binding residue
(residue number reindexed from 1)		H32 V37 T43 F51 Y56 Y75 F78 H83 L85 R129 V137 Y138 M141
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5xhl, PDBe:5xhl, PDBj:5xhl
PDBsum5xhl
PubMed
UniProtG3XD33

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