Structure of PDB 5oku Chain A Binding Site BS01

Receptor Information
>5oku Chain A (length=299) Species: 258594 (Rhodopseudomonas palustris CGA009) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWPTRQVTLVVPFTSGGTTDMLARLIAARLSEHYGQSFVIDNRSGESGNI
AASYVAKVPADGYTFIIGTPGIHATNRLVYRTMGYDPATDFTPVIVIARV
PNLLSVTKSLPVTSVADLISYARQRPRELFYGVSALGSTGHLSTELFKTM
TGVEITAVPYKGSAPMLRDLAEGRVHLTIDNLPASKPLLEAGEIRPLAVT
TAKRWPPLSHLPTIAEAGVPGYETASWFTVGAPRGTPTEIVTSLNTTVAA
FLGSDSGTVKLREIGAEPGGGSPQDMQRHVEAEIARWEKVAKTAGIAPL
Ligand information
Ligand ID0L1
InChIInChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKeyWNLRTRBMVRJNCN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCCC(=O)O
OpenEye OEToolkits 1.7.6C(CCC(=O)O)CC(=O)O
CACTVS 3.370OC(=O)CCCCC(O)=O
FormulaC6 H10 O4
Namehexanedioic acid;
Adipic acid
ChEMBLCHEMBL1157
DrugBank
ZINCZINC000001530348
PDB chain5oku Chain A 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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PDB5oku Structural basis for high-affinity adipate binding to AdpC (RPA4515), an orphan periplasmic-binding protein from the tripartite tricarboxylate transporter (TTT) family in Rhodopseudomonas palustris.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		F48 T54 P105 S173 T174 S198 N216 S261
Binding residue
(residue number reindexed from 1)		F13 T19 P70 S138 T139 S163 N181 S226
Annotation score1
Binding affinityMOAD: Kd=0.55uM
PDBbind-CN: -logKd/Ki=6.26,Kd=0.55uM
Enzymatic activity
Enzyme Commision number ?
External links