Structure of PDB 6kfr Chain B Binding Site BS01

Receptor Information

>6kfr Chain B (length=449) Species: 1423 (Bacillus subtilis)

YTPQQRQYLESFIEKYVDKTKGSKQYTDETRFAHANNRNLSSFRSYWKEM
VYPIIAERSDGSRMWDIDGNEYIDITMGFGVNLFGHHPSFITQTVVDSTH
SALPPLGPMSNVAGEVADRIRACTGVERVAFYNSGTEAVMVALRLARAAT
GRTKVVVFAGSYHGTFDGVLGVANTKGGAEPANPLAPGIPQSFMNDLIIL
HYNHPDSLDVIRNLGNELAAVLVEPVQSRRPDLQPESFLKELRAITQQSG
TALIMDEIITGFRIGLGGAQEWFDIQADLVTYGKIIGGGQPLGIVAGKAE
FMNTIDGGTWQYGDDSYPTDEAKRTFVAGTFNTHPLTMRMSLAVLRYLQA
EGETLYERLNQKTTYLVDQLNSYFEQSQVPIRMVQFGSLFRFVSSVDNDL
FFYHLNYKGVYVWEGRNCFLSTAHTSDDIAYIIQAVQETVKDLRRGGFI

Ligand information

• Ligand ID: ARG
• InChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
• InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-O
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CC(C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[C@@H](CCCNC(N)=[NH2+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[CH](CCCNC(N)=[NH2+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCN\C(=[NH2+])N
• Formula: C6 H15 N4 O2
• Name: ARGININE
• PDB chain: 6kfr Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6kfr Structure Insights into the Molecular Mechanism of Two Tailoring Domains of Hybrid Polyketide/Non-Ribosomal Peptide Synthetase
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): N43 W419
• Binding residue (residue number reindexed from 1): N37 W413
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R44 Y168 D262 K290
• Catalytic site (residue number reindexed from 1): R38 Y162 D256 K284
• Enzyme Commision number: 2.3.1.-

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding

External links

• PDB: RCSB:6kfr, PDBe:6kfr, PDBj:6kfr
• PDBsum: 6kfr
• UniProt: Q9R9J1|MYCA_BACIU Mycosubtilin synthase subunit A (Gene Name=mycA)