Structure of PDB 7fhr Chain A Binding Site BS01

Receptor Information
>7fhr Chain A (length=437) Species: 266264 (Cupriavidus metallidurans CH34) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMLSREDNELLVRVGPGTAMGTMMRLYWIPFLKSSEVTAGGQPYRVRLLG
EDLVAFRDNSGNVGLVDHTCPHRGAPMVFGRNENDGLRCVYHGWKFKVSG
QCEEMPCEPADSPMCKRMKIKAYPVKERNGILWAYMGPDAENAPELPDVE
WNMVPEEQVAISMRVQECNWLQALEGELDSAHAAILHGRVGEINQWRQAQ
DLSPTFECVQHDAGISIGARRKTPDGENYVRVNQFLMPFWTLVPPQSQFP
ELSGHAWVPIDDEHTLCLMFSYHPAKPFYERTRKLFKEGHNGRETGHHSD
NAFEKRPVTEPYHTYWSKFNRGNAYQFDYQSQVEKYNSGMPGLWIQDAAC
QSGTTPILDRSKEHLGTSDTGVARMRRVLLEAVKKLVATGEHPVSSNAPA
AFRWRAVSLTIPLGGDWTKLGEEAMRAEPGKDFGYTP
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain7fhr Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7fhr Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		E176 H181 H186 R233 V245 D349
Binding residue
(residue number reindexed from 1)		E177 H182 H187 R231 V243 D347
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.12.7: phthalate 4,5-dioxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0018620 phthalate 4,5-dioxygenase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0009056 catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7fhr, PDBe:7fhr, PDBj:7fhr
PDBsum7fhr
PubMed34800435
UniProtQ1LBR9

[Back to BioLiP]