Structure of PDB 1si1 Chain A Binding Site BS01

Receptor Information
>1si1 Chain A (length=316) Species: 75985 (Mannheimia haemolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANEVNVYSYRQPYLIEPMLKNFEKDTGIKVNIIFADKGLVDRVKQEGELS
PADVLLTVDISRVMEIVNADLAQKIDSKVLEKNIPAQFRDSNDQWFGLTT
RARVIYTSKDRVGKLPAGFDYLDLAKPEYKGKVCVRSGKNSYNVSLFAAM
IEHYGIEKTKAFLEGLKANLARKPQGGDRDQVKAIKEGICDYSIGNSYYY
GKMLDDEKQKSWAEAAIINFPSGEHGTHKNISGVVIAKHSPNKANAVKLI
EYLSGEKAQGLYAELNHEYPVKEGIEPSAIVKGWGTFKSDTIKLEDIAKN
YEAALKLVDEVKFDDF
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain1si1 Chain A Residue 321 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1si1 Structural basis for iron binding and release by a novel class of periplasmic iron-binding proteins found in gram-negative pathogens.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		Y142 Y198 Y199
Binding residue
(residue number reindexed from 1)		Y142 Y198 Y199
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:1si1, PDBe:1si1, PDBj:1si1
PDBsum1si1
PubMed15175304
UniProtQ9Z4N6

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