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Receptor Information

>4lk3 Chain A (length=267) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RKRILITGGAGFVGSHLTDKLMMDGHEVTVVDNFFTGRKRNVEHWIGHEN
FELINHDVVEPLYIEVDQIYHLASPASYNPIKTLKTNTIGTLNMLGLAKR
VGARLLLASTSEVYEGKAVAETMCYAYMKQEGVEVRVARIFNTFGPRMHM
NDGRVVSNFILQALQGEPLTVYQTRAFQYVSDLVNGLVALMNSNVSSPVN
LGNPEEHTILEFAQLIKNLVGSGSEIQFRKPDIKKAKLMLGWEPVVPLEE
GLNKAIHYFRKELEYQA

Ligand ID

UGA

InChI

InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1

InChIKey

HDYANYHVCAPMJV-LXQIFKJMSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O
CACTVS 3.341	O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O
CACTVS 3.341	O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1O)C(O)=O)O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O

Formula

C15 H22 N2 O18 P2

Name

URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID;
UDP-GLUCURONIC ACID

PDB chain

4lk3 Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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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)	P148 L149 Y150 N185 G188 L189 R192 Y245 E249
Binding residue (residue number reindexed from 1)	P61 L62 Y63 N93 G96 L97 R100 Y127 E131
Annotation score	4

Catalytic site (original residue number in PDB)	T202 S203 E204 K235 R272
Catalytic site (residue number reindexed from 1)	T110 S111 E112 K117 R154
Enzyme Commision number	4.1.1.35: UDP-glucuronate decarboxylase.

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

	Biological Process
GO:0042732	D-xylose metabolic process

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

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Structure of PDB 4lk3 Chain A Binding Site BS03