Structure of PDB 6wo1 Chain A Binding Site BS03

Receptor Information

>6wo1 Chain A (length=551) Species: 5207 (Cryptococcus neoformans)

GLDYSFIGLSGGQIFQEMMLRHDVKQVFGYPGGAILPVFDAIYNSPHFEF
VLPRHEQGAGHMAEGYARVSGKPGVVLVTSGPGATNVITPMQDALSDGVP
MVVFCGQVATNLIGSDAFQEADVVGISRSCTKWNVMVKDIAELPRRINEA
FKIATTGRPGPVLVDLPKDVTAAILRTPIPAPLPGDADLITEAAQMINKA
KRPIIFAGNGVLSSPEGPKLLKELSDKGRIPVTTTLQGLGAFDERDEKSL
HMIGMHGSAYANFAMQEADVLIALGVRFDDRVTGKVDTFAPAAKAAAAEG
RGGIIHFEIQPKNINKIVEGQIPVLGDVVASLGELVPQIEAVDRSAWIGR
CKATKERYPFTYTPSQEGQKLKPQEVVQELDRQAEALGKEKFVISTGVGQ
HQMWACQYYRWTEPRSWVSSGGLGTMGFGLPSAIGAKVAAPEKYVIDIDG
DASFSMTAMELATASQYDIGVKVLLFNNETNPDFVKLSESMGAKGLRCTK
LEDLPRMMKEFLEYDGKRPIVLECLVSSEHVYPMIPAGKALHEQLLHPLL
R

Ligand information

• Ligand ID: DPO
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-J
• SMILES:
  CACTVS 3.370: [O-][P]([O-])(=O)O[P]([O-])([O-])=O
  OpenEye OEToolkits 1.7.2: [O-]P(=O)([O-])OP(=O)([O-])[O-]
  ACDLabs 12.01: [O-]P([O-])(=O)OP([O-])([O-])=O
• Formula: O7 P2
• Name: DIPHOSPHATE
• PDB chain: 6wo1 Chain A Residue 1703

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6wo1 Structures of fungal and plant acetohydroxyacid synthases.
• Resolution: 3.3 Å
• Binding residue (original residue number in PDB): V539 G540 Q541 H542 G591 D592 A593 S594
• Binding residue (residue number reindexed from 1): V398 G399 Q400 H401 G450 D451 A452 S453
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y147 G149 G150 A151 I152 E173 T196 F235 Q236 E237 K285 M396 V423 V539 G565 M567 D592 N619
• Catalytic site (residue number reindexed from 1): Y30 G32 G33 A34 I35 E56 T79 F118 Q119 E120 K168 M255 V282 V398 G424 M426 D451 N478
• Enzyme Commision number: 2.2.1.6: acetolactate synthase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0003984 acetolactate synthase activity
• GO:0016740 transferase activity
• GO:0030976 thiamine pyrophosphate binding
• GO:0046872 metal ion binding
• GO:0050660 flavin adenine dinucleotide binding

Biological Process

• GO:0008652 amino acid biosynthetic process
• GO:0009082 branched-chain amino acid biosynthetic process
• GO:0009097 isoleucine biosynthetic process
• GO:0009099 L-valine biosynthetic process

Cellular Component

• GO:0005739 mitochondrion
• GO:0005948 acetolactate synthase complex

External links

• PDB: RCSB:6wo1, PDBe:6wo1, PDBj:6wo1
• PDBsum: 6wo1
• PubMed: 32640464
• UniProt: Q96VZ6