Structure of PDB 1si0 Chain A Binding Site BS02

Receptor Information
>1si0 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 IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain1si0 Chain A Residue 322 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1si0 Structural basis for iron binding and release by a novel class of periplasmic iron-binding proteins found in gram-negative pathogens.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		R10 Q11 L14 V58 Y142 Y198
Binding residue
(residue number reindexed from 1)		R10 Q11 L14 V58 Y142 Y198
Annotation score3
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:1si0, PDBe:1si0, PDBj:1si0
PDBsum1si0
PubMed15175304
UniProtQ9Z4N6

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