Structure of PDB 1b57 Chain B Binding Site BS04
Receptor Information
>1b57 Chain B (length=346) Species:
562
(Escherichia coli) [
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SKIFDFVKPGVITGDDVQKVFQVAKENNFALPAVNCVGTDSINAVLETAA
KVKAPVIVQFSNGGASFIAGKGVKSDVPQGAAILGAISGAHHVHQMAEHY
GVPVILHTDHCAKKLLPWIDGLLDAGEKHFAATGKPLFSSHMIDLSEESL
QENIEICSKYLERMSKIGMTLEIELGCTGGEELYTQPEDVDYAYTELSKI
SPRFTIAASFGNVHGVYKPGNVVLTPTILRDSQEYVSKKHNLPHNSLNFV
FHGGSGSTAQEIKDSVSYGVVKMNIDTDTQWATWEGVLNYYKANEAYLQG
QLGNPKGEDQPNKKYYDPRVWLRAGQTSMIARLEKAFQELNAIDVL
Ligand information
Ligand ID
PGH
InChI
InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
InChIKey
BAXHHWZKQZIJID-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=P(O)(O)OCC(=O)NO
OpenEye OEToolkits 1.5.0
C(C(=O)NO)OP(=O)(O)O
CACTVS 3.341
ONC(=O)CO[P](O)(O)=O
Formula
C2 H6 N O6 P
Name
PHOSPHOGLYCOLOHYDROXAMIC ACID
ChEMBL
CHEMBL371668
DrugBank
DB03026
ZINC
PDB chain
1b57 Chain B Residue 359 [
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Receptor-Ligand Complex Structure
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PDB
1b57
The crystal structure of Escherichia coli class II fructose-1, 6-bisphosphate aldolase in complex with phosphoglycolohydroxamate reveals details of mechanism and specificity.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
D109 H110 H226 G227 H264 G265 S267 N286 I287 D288 T289
Binding residue
(residue number reindexed from 1)
D109 H110 H214 G215 H252 G253 S255 N274 I275 D276 T277
Annotation score
2
Binding affinity
PDBbind-CN
: -logKd/Ki=8.00,Ki=0.01uM
Enzymatic activity
Catalytic site (original residue number in PDB)
D109 H110 E182 H226 H264 N286
Catalytic site (residue number reindexed from 1)
D109 H110 E182 H214 H252 N274
Enzyme Commision number
4.1.2.13
: fructose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0004332
fructose-bisphosphate aldolase activity
GO:0005515
protein binding
GO:0008270
zinc ion binding
GO:0016829
lyase activity
GO:0016832
aldehyde-lyase activity
GO:0042802
identical protein binding
GO:0042803
protein homodimerization activity
GO:0046872
metal ion binding
Biological Process
GO:0005975
carbohydrate metabolic process
GO:0006094
gluconeogenesis
GO:0006096
glycolytic process
Cellular Component
GO:0005829
cytosol
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Molecular Function
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Cellular Component
External links
PDB
RCSB:1b57
,
PDBe:1b57
,
PDBj:1b57
PDBsum
1b57
PubMed
10080900
UniProt
P0AB71
|ALF_ECOLI Fructose-bisphosphate aldolase class 2 (Gene Name=fbaA)
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