BioLiP

Receptor Information

>8uii Chain A (length=641) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QRVVHVQQKDDGCCLWHLKPPSCPLLTKFKELNTKVIDLSKCGIALGEFS
TLNSKLKSGNSAAVFMRTRKEFTEEVRNLLLEEIRWSNPEFSLKKYFPLL
LKKQITEDMLWTEKYQPQTASELIGNELAIKKLHSWLKDWKRRAELEERQ
NLKGKEEESRLCNTVLITGPTGVGKTAAVYACAQELGFKIFEVNASSQRS
GRQILSQLKEATQSHQVDKQGVNSQKPCFFNSKNATSLILFEEVDVIFDE
DAGFLNAIKTFMATTKRPVILTTSDPTFSLMFDGCFEEIKFSTPSLLNVA
SYLQMICLTENFRTDVKDFVTLLTANTCDIRKSILYLQFWIRSGGGVLEE
RPLTLLPKCDSGCAETLFGLKNIFSPSEDLFSFLKHKITMKEEWHKFIQL
LTEFQMRNVDFLYSNLEFILPLPVDTIPTTAGKKCSALVSHCLNSLSEFM
DNMSFLDALLTDVREQNKYGRNDFSWTNGKVTSGLCDEFSLESNDGWTSQ
SSGELKAAAEALSFTKCSSAISKALETLNSCKKLGRDPTNDLTFYVSQKR
NNVYFSQSAANLDNAWKRISVIKSVFSSRSLLYVGNRQASIIEYLPTLRN
ICKTEKLKEQGKSKRRFLHYFEGIHLDIPKETVNTLAADFP

Ligand ID

AGS

InChI

InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1

InChIKey

NLTUCYMLOPLUHL-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01	O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O

Formula

C10 H16 N5 O12 P3 S

Name

PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE

PDB chain

8uii Chain A Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	8uii Cryo-EM map of human clmap-clamp loader ATAD5-RFC-closed PCNA complex
Resolution	3.04 Å
Binding residue (original residue number in PDB)	T1055 Q1059 I1067 T1134 G1135 V1136 G1137 K1138 T1139 A1140 S1337 Y1365 I1393 R1394
Binding residue (residue number reindexed from 1)	T112 Q116 I124 T171 G172 V173 G174 K175 T176 A177 S274 Y302 I330 R331
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0003677	DNA binding
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0061860	DNA clamp unloader activity

	Biological Process
GO:0006974	DNA damage response
GO:0008283	cell population proliferation
GO:0008630	intrinsic apoptotic signaling pathway in response to DNA damage
GO:0030890	positive regulation of B cell proliferation
GO:0033260	nuclear DNA replication
GO:0042770	signal transduction in response to DNA damage
GO:0042771	intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator
GO:0045190	isotype switching
GO:0045740	positive regulation of DNA replication
GO:0048304	positive regulation of isotype switching to IgG isotypes
GO:0090618	DNA clamp unloading
GO:1901990	regulation of mitotic cell cycle phase transition
GO:1902166	negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator
GO:1902230	negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage
GO:1902751	positive regulation of cell cycle G2/M phase transition

	Cellular Component
GO:0005634	nucleus
GO:0031391	Elg1 RFC-like complex

PDB	RCSB:8uii, PDBe:8uii, PDBj:8uii
PDBsum	8uii
PubMed	38871854
UniProt	Q96QE3\|ATAD5_HUMAN ATPase family AAA domain-containing protein 5 (Gene Name=ATAD5)

[Back to BioLiP]

Structure of PDB 8uii Chain A Binding Site BS02