Structure of PDB 3zlb Chain A Binding Site BS02

Receptor Information
>3zlb Chain A (length=398) Species: 373153 (Streptococcus pneumoniae D39) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKLTVKDVDLKGKKVLVRVDFNVPLKDGVITNDNRITAALPTIKYIIEQ
GGRAILFSHLGRVKEESDKAGKSLAPVAADLAAKLGQDVVFPGVTRGAEL
EAAINALEDGQVLLVENTRYEDVDGKKESKNDPELGKYWASLGDGIFVND
AFGTAHRAHASNVGISANVEKAVAGFLLENEIAYIQEAVETPERPFVAIL
GGSKVSDKIGVIENLLEKADKVLIGGGMTYTFYKAQGIEIGNSLVEEDKL
DVAKALLEKANGKLILPVDSKEANAFAGYTEVRDTEGEAVSEGFLGLDIG
PKSIAKFDEALTGAKTVVWNGPMGVFENPDFQAGTIGVMDAIVKQPGVKS
IIGGGDSAAAAINLGRADKFSWISTGGGASMELLEGKVLPGLAALTEK
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain3zlb Chain A Residue 1401 [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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PDB3zlb Pneumococcal phosphoglycerate kinase interacts with plasminogen and its tissue activator.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		G202 S203 G226 G227 N320 P322 G324 V325 E327 G354 G355 D356 S357
Binding residue
(residue number reindexed from 1)		G202 S203 G226 G227 N320 P322 G324 V325 E327 G354 G355 D356 S357
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R36 K204 G355 G378
Catalytic site (residue number reindexed from 1) R36 K204 G355 G378
Enzyme Commision number 2.7.2.3: phosphoglycerate kinase.
Gene Ontology
Molecular Function
GO:0002020 protease binding
GO:0004618 phosphoglycerate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0043531 ADP binding
GO:0043532 angiostatin binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0010756 positive regulation of plasminogen activation
GO:0016310 phosphorylation
GO:0051919 positive regulation of fibrinolysis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009274 peptidoglycan-based cell wall
GO:0009986 cell surface

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3zlb, PDBe:3zlb, PDBj:3zlb
PDBsum3zlb
PubMed24196407
UniProtQ04LZ5|PGK_STRP2 Phosphoglycerate kinase (Gene Name=pgk)

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