Structure of PDB 4lk3 Chain F Binding Site BS03

Receptor Information

>4lk3 Chain F (length=261) Species: 9606 (Homo sapiens)

RKRILITGGAGFVGSHLTDKLMMDGHEVTVVDNFFTGRKRNVEHWIGHEN
FELINHDVVEPLYIEVDQIYHLASPYNPIKTLKTNTIGTLNMLGLAKRVG
ARLLLASTSEVYEGKAVAETMCYAYMKQEGVEVRVARIFNTFGPRMHMND
GRVVSNFILQALQGEPLSQTRAFQYVSDLVNGLVALMNSNVSSPVNLGNP
EEHTILEFAQLIKNLVGSGSEIRKPDIKKAKLMLGWEPVVPLEEGLNKAI
HYFRKELEYQA

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 4lk3 Chain F Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4lk3 Man o' war mutation in UDP-alpha-D-xylose synthase favors the abortive catalytic cycle and uncovers a latent potential for hexamer formation.
• Resolution: 2.64 Å
• Binding residue (original residue number in PDB): N260 R272 V273
• Binding residue (residue number reindexed from 1): N140 R152 V153
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): T202 S203 E204 K235 R272
• Catalytic site (residue number reindexed from 1): T108 S109 E110 K115 R152
• Enzyme Commision number: 4.1.1.35: UDP-glucuronate decarboxylase.

Gene Ontology

Molecular Function

• GO:0048040 UDP-glucuronate decarboxylase activity
• GO:0070403 NAD+ binding

Biological Process

• GO:0042732 D-xylose metabolic process

External links

• PDB: RCSB:4lk3, PDBe:4lk3, PDBj:4lk3
• PDBsum: 4lk3
• PubMed: 25521717
• UniProt: Q8NBZ7|UXS1_HUMAN UDP-glucuronic acid decarboxylase 1 (Gene Name=UXS1)