Structure of PDB 1g29 Chain 2 Binding Site BS05

Receptor Information
>1g29 Chain 2 (length=372) Species: 2265 (Thermococcus litoralis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAGVRLVDVWKVFGEVTAVREMSLEVKDGEFMILLGPSGCGKTTTLRMIA
GLEEPSRGQIYIGDKLVADPEKGIFVPPKDRDIAMVFQSYALYPHMTVYD
NIAFPLKLRKVPRQEIDQRVREVAELLGLTELLNRKPRELSGGQRQRVAL
GRAIVRKPQVFLMDEPLSNLDAKLRVRMRAELKKLQRQLGVTTIYVTHDQ
VEAMTMGDRIAVMNRGVLQQVGSPDEVYDKPANTFVAGFIGSPPMNFLDA
IVTEDGFVDFGEFRLKLLPDQFEVLGELGYVGREVIFGIRPEDLYDAMFA
QVRVPGENLVRAVVEIVENLGSERIVRLRVGGVTFVGSFRSESRVREGVE
VDVVFDMKKIHIFDKTTGKAIF
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain1g29 Chain 2 Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1g29 Crystal structure of MalK, the ATPase subunit of the trehalose/maltose ABC transporter of the archaeon Thermococcus litoralis.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S38 G39 C40 G41 K42 T43 T44
Binding residue
(residue number reindexed from 1)		S38 G39 C40 G41 K42 T43 T44
Annotation score1
Enzymatic activity
Enzyme Commision number 7.5.2.1: ABC-type maltose transporter.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0015423 ABC-type maltose transporter activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
GO:0140359 ABC-type transporter activity
Biological Process
GO:0008643 carbohydrate transport
GO:0055085 transmembrane transport
GO:1904981 maltose transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Molecular Function
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Cellular Component
External links
PDB RCSB:1g29, PDBe:1g29, PDBj:1g29
PDBsum1g29
PubMed11080142
UniProtQ9YGA6|MALK_THELN Trehalose/maltose import ATP-binding protein MalK (Gene Name=malK)

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