Structure of PDB 6ulz Chain A Binding Site BS02

Receptor Information
>6ulz Chain A (length=585) Species: 54914 (Brevibacillus parabrevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGRILFLTTFMSKGNKVVRYLESLHHEVVICQEKVHAQSANLQEIDWIVS
YAYGYILDKEIVSRFRGRIINLHPSLLPWNKGRDPVFWSVWDETPKGVTI
HLIDEHVDTGDILVQEEIAFADEDTLLDCYNKANQAIEELFIREWENIVH
GRIAPYRQTAGGTLHFKADRDFYKNLNMTTVRELLALKRLCAEPKRGEKP
IDKTFHQLFEQQVEMTPDHVAVVDRGQSLTYKQLNERANQLAHHLRGKGV
KPDDQVAIMLDKSLDMIVSILAVMKAGGAYVPIDPDYPGERIAYMLADSS
AAILLTNALHEEKANGACDIIDVHDPDSYSENTNNLPHVNRPDDLVYVMY
TSGSTGLAKGVMIEHHNLVNFCEWYRPYFGVTPADKALVYSSFSFDGSAL
DIFTHLLAGAALHIVPSERKYDLDALNDYCNQEGITISYLPTGAAEQFMQ
MDNQSFRVVITGGDVLKKIERNGTYKLYNGYGMTECTIMVTMFEVDKPYA
NIPIGKPIDRTRILILDEALALQPIGVAGELFIVGEGLGRGYLNRPELTA
EKFIVHPQTGERMYRTGDRARFLPDGNIEFLGRLD
Ligand information
Ligand IDKIV
InChIInChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
InChIKeyQHKABHOOEWYVLI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(C(=O)O)C(C)C
CACTVS 3.341CC(C)C(=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)C(=O)C(=O)O
FormulaC5 H8 O3
Name3-METHYL-2-OXOBUTANOIC ACID;
ALPHA-KETOISOVALERIC ACID;
KETOVALINE
ChEMBLCHEMBL146554
DrugBankDB04074
ZINCZINC000001532553
PDB chain6ulz Chain A Residue 705 [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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PDB6ulz Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D396 G397 Y439 G463 G482 I488
Binding residue
(residue number reindexed from 1)		D396 G397 Y439 G463 G482 I488
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T351 F371 T484 E485
Catalytic site (residue number reindexed from 1) T351 F371 T484 E485
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0009058 biosynthetic process

View graph for
Biological Process
External links
PDB RCSB:6ulz, PDBe:6ulz, PDBj:6ulz
PDBsum6ulz
PubMed32066969
UniProtQ70LM7|LGRA_BREPA Linear gramicidin synthase subunit A (Gene Name=lgrA)

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