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BioLiP

Structure of PDB 6hke Chain B Binding Site BS01

Receptor Information
>6hke Chain B (length=296) Species: 258594 (Rhodopseudomonas palustris CGA009) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FPVRTVTVVVPFAKGGPTDTVARLITAEMAKTLGQPIEIENMLGAGGTLA
ATRVAHAAPDGHTLIVGHLGTHGAAVALFPKLAYRPDKDFTPVALLTEMP
VLLLARKQFPPKDLSEFASYVESHTDNLNVAHAGFGSVSYASCLLLNRLL
KVDPTGVPFSGTGPALQALVEGQVDYMCDQIVNAVPALREGKVKAYVIAA
SERDPVVPDVPTAREAGLPGFQVGAWTGLFAPRGTPEPIVAKLNAAVSRA
LDQSDVRTRLTDLGALVPRPEQRAPVVLAQLVQEEISRWEDVVEGT
Ligand information
Ligand IDMLT
InChIInChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
InChIKeyBJEPYKJPYRNKOW-UWTATZPHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[CH](CC(O)=O)C(O)=O
CACTVS 3.370O[C@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(C(C(=O)O)O)C(=O)O
OpenEye OEToolkits 1.7.6C([C@H](C(=O)O)O)C(=O)O
ACDLabs 12.01O=C(O)C(O)CC(=O)O
FormulaC4 H6 O5
NameD-MALATE;
(2R)-2-HYDROXYBUTANEDIOIC ACID;
2-HYDROXY-SUCCINIC ACID
ChEMBLCHEMBL225986
DrugBankDB03499
ZINCZINC000000895264
PDB chain6hke Chain B Residue 401 [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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PDB6hke A New Mechanism for High-Affinity Uptake of C4-Dicarboxylates in Bacteria Revealed by the Structure of Rhodopseudomonas palustris MatC (RPA3494), a Periplasmic Binding Protein of the Tripartite Tricarboxylate Transporter (TTT) Family.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		F24 P29 T30 H80 S149 V150 S151 G173 T174 Q192
Binding residue
(residue number reindexed from 1)		F12 P17 T18 H68 S137 V138 S139 G161 T162 Q180
Annotation score1
Binding affinityMOAD: Kd=21nM
Enzymatic activity
Enzyme Commision number ?
External links

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