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Receptor Information

>6hd3 Chain A (length=450) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DFSTAILERKKSPNRLVVDEAINDDNSVVSLHPATMEKLQLFRGDTILIK
GKKRKDTVCIALADETCEEPKIRMNKVVRSNLRVRLGDVISVHQCPDVKY
GKRVHILPVDDTVEGVTGNLFDAYLKPYFLEAYRPVRKGDLFLVRGGMRS
VEFKVIETDPAEYCVVAPDTEIFCEGEPVKREDEERLDDVGYDDVGGVRK
QMAQIRELVELPLRHPQLFKSIGVKPPKGILLYGPPGSGKTLIARAVANE
TGAFFFCINGPEIMSKLAGESESNLRKAFEEAEKNAPSIIFIDEIDSIAP
KREKTNGEVERRIVSQLLTLMDGLKSRAHVIVMGATNRPNSIDPALRRFG
RFDREIDIGVPDEIGRLEVLRIHTKNMKLAEDVDLERISKDTHGYVGADL
AALCTEAALQCIREKMDVIDSIDAEILNSMAVTNEHFHTALGNSNPRETV

Ligand ID

ADP

InChI

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

XTWYTFMLZFPYCI-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N

Formula

C10 H15 N5 O10 P2

Name

ADENOSINE-5'-DIPHOSPHATE

PDB chain

6hd3 Chain A Residue 504 [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	6hd3 Common Mode of Remodeling AAA ATPases p97/CDC48 by Their Disassembling Cofactors ASPL/PUX1.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	G210 P250 G251 S252 G253 K254 T255 L256 V383 H387 G411 A412
Binding residue (residue number reindexed from 1)	G196 P236 G237 S238 G239 K240 T241 L242 V369 H373 G397 A398
Annotation score	5

Enzyme Commision number

	Molecular Function
GO:0005524	ATP binding
GO:0016887	ATP hydrolysis activity

PDB	RCSB:6hd3, PDBe:6hd3, PDBj:6hd3
PDBsum	6hd3
PubMed	31648844
UniProt	P54609\|CD48A_ARATH Cell division control protein 48 homolog A (Gene Name=CDC48A)

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Structure of PDB 6hd3 Chain A Binding Site BS01