Structure of PDB 4pdy Chain A Binding Site BS01

Receptor Information

>4pdy Chain A (length=332) Species: 521098 (Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446)

RLGSRSQAPLIPQAVVSKYDLAIQQRHADGNIEVWTDSKGRRYAAKRSSI
APAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVS
GQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWKDDVFGLFQARWRDLRQ
MWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERS
SGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERG
NWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLPWRIAHARYHFAA
DPSQLDALQQYAVQAEKRQAFLASLRQQVEHL

Ligand information

• Ligand ID: HIS
• InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
• InChIKey: HNDVDQJCIGZPNO-YFKPBYRVSA-O
• SMILES:
  OpenEye OEToolkits 1.5.0: c1c([nH+]c[nH]1)CC(C(=O)O)N
  CACTVS 3.341: N[CH](Cc1c[nH]c[nH+]1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)Cc1cnc[nH+]1
  OpenEye OEToolkits 1.5.0: c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
• Formula: C6 H10 N3 O2
• Name: HISTIDINE
• PDB chain: 4pdy Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4pdy Crystal structure of aminoglycoside phosphotransferase from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446
• Resolution: 1.35 Å
• Binding residue (original residue number in PDB): W110 V111 G113 L232 I242
• Binding residue (residue number reindexed from 1): W98 V99 G101 L215 I225
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016740 transferase activity

Cellular Component

• GO:0042601 endospore-forming forespore

External links

• PDB: RCSB:4pdy, PDBe:4pdy, PDBj:4pdy
• PDBsum: 4pdy
• UniProt: C8WS74