5QTP

PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with AE-0227

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005829	cellular_component	cytosol
A	0006338	biological_process	chromatin remodeling
A	0006753	biological_process	nucleoside phosphate metabolic process
A	0009117	biological_process	nucleotide metabolic process
A	0009191	biological_process	ribonucleoside diphosphate catabolic process
A	0016779	molecular_function	nucleotidyltransferase activity
A	0016787	molecular_function	hydrolase activity
A	0017110	molecular_function	nucleoside diphosphate phosphatase activity
A	0019144	molecular_function	ADP-sugar pyrophosphatase activity
A	0019303	biological_process	D-ribose catabolic process
A	0019693	biological_process	ribose phosphate metabolic process
A	0030515	molecular_function	snoRNA binding
A	0042802	molecular_function	identical protein binding
A	0042803	molecular_function	protein homodimerization activity
A	0044715	molecular_function	8-oxo-dGDP phosphatase activity
A	0047631	molecular_function	ADP-ribose diphosphatase activity
A	0055086	biological_process	nucleobase-containing small molecule metabolic process
A	0070062	cellular_component	extracellular exosome
A	0140933	molecular_function	5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity
A	1990966	biological_process	ATP generation from poly-ADP-D-ribose
B	0000287	molecular_function	magnesium ion binding
B	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005829	cellular_component	cytosol
B	0006338	biological_process	chromatin remodeling
B	0006753	biological_process	nucleoside phosphate metabolic process
B	0009117	biological_process	nucleotide metabolic process
B	0009191	biological_process	ribonucleoside diphosphate catabolic process
B	0016779	molecular_function	nucleotidyltransferase activity
B	0016787	molecular_function	hydrolase activity
B	0017110	molecular_function	nucleoside diphosphate phosphatase activity
B	0019144	molecular_function	ADP-sugar pyrophosphatase activity
B	0019303	biological_process	D-ribose catabolic process
B	0019693	biological_process	ribose phosphate metabolic process
B	0030515	molecular_function	snoRNA binding
B	0042802	molecular_function	identical protein binding
B	0042803	molecular_function	protein homodimerization activity
B	0044715	molecular_function	8-oxo-dGDP phosphatase activity
B	0047631	molecular_function	ADP-ribose diphosphatase activity
B	0055086	biological_process	nucleobase-containing small molecule metabolic process
B	0070062	cellular_component	extracellular exosome
B	0140933	molecular_function	5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity
B	1990966	biological_process	ATP generation from poly-ADP-D-ribose
C	0000287	molecular_function	magnesium ion binding
C	0005515	molecular_function	protein binding
C	0005634	cellular_component	nucleus
C	0005829	cellular_component	cytosol
C	0006338	biological_process	chromatin remodeling
C	0006753	biological_process	nucleoside phosphate metabolic process
C	0009117	biological_process	nucleotide metabolic process
C	0009191	biological_process	ribonucleoside diphosphate catabolic process
C	0016779	molecular_function	nucleotidyltransferase activity
C	0016787	molecular_function	hydrolase activity
C	0017110	molecular_function	nucleoside diphosphate phosphatase activity
C	0019144	molecular_function	ADP-sugar pyrophosphatase activity
C	0019303	biological_process	D-ribose catabolic process
C	0019693	biological_process	ribose phosphate metabolic process
C	0030515	molecular_function	snoRNA binding
C	0042802	molecular_function	identical protein binding
C	0042803	molecular_function	protein homodimerization activity
C	0044715	molecular_function	8-oxo-dGDP phosphatase activity
C	0047631	molecular_function	ADP-ribose diphosphatase activity
C	0055086	biological_process	nucleobase-containing small molecule metabolic process
C	0070062	cellular_component	extracellular exosome
C	0140933	molecular_function	5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity
C	1990966	biological_process	ATP generation from poly-ADP-D-ribose
D	0000287	molecular_function	magnesium ion binding
D	0005515	molecular_function	protein binding
D	0005634	cellular_component	nucleus
D	0005829	cellular_component	cytosol
D	0006338	biological_process	chromatin remodeling
D	0006753	biological_process	nucleoside phosphate metabolic process
D	0009117	biological_process	nucleotide metabolic process
D	0009191	biological_process	ribonucleoside diphosphate catabolic process
D	0016779	molecular_function	nucleotidyltransferase activity
D	0016787	molecular_function	hydrolase activity
D	0017110	molecular_function	nucleoside diphosphate phosphatase activity
D	0019144	molecular_function	ADP-sugar pyrophosphatase activity
D	0019303	biological_process	D-ribose catabolic process
D	0019693	biological_process	ribose phosphate metabolic process
D	0030515	molecular_function	snoRNA binding
D	0042802	molecular_function	identical protein binding
D	0042803	molecular_function	protein homodimerization activity
D	0044715	molecular_function	8-oxo-dGDP phosphatase activity
D	0047631	molecular_function	ADP-ribose diphosphatase activity
D	0055086	biological_process	nucleobase-containing small molecule metabolic process
D	0070062	cellular_component	extracellular exosome
D	0140933	molecular_function	5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity
D	1990966	biological_process	ATP generation from poly-ADP-D-ribose

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue MG A 301

Chain	Residue
A	ALA96
A	GLU116
A	MG302
A	HOH418
A	HOH420
A	HOH453
A	HOH454

---

site_id	AC2
Number of Residues	7
Details	binding site for residue MG A 302

Chain	Residue
A	GLU166
A	MG301
A	HOH411
A	HOH414
A	HOH453
A	GLU112
A	GLU116

---

site_id	AC3
Number of Residues	4
Details	binding site for residue PWJ A 303

Chain	Residue
A	THR45
A	TRP46
A	GLU47
B	TRP28

---

site_id	AC4
Number of Residues	5
Details	binding site for residue EDO A 304

Chain	Residue
A	ARG51
A	MET132
A	CYS139
A	HOH408
B	ASP133

---

site_id	AC5
Number of Residues	5
Details	binding site for residue EDO A 305

Chain	Residue
A	GLN69
A	ARG70
A	ASN149
A	ASP151
A	HOH402

---

site_id	AC6
Number of Residues	5
Details	binding site for residue EDO B 302

Chain	Residue
B	GLN69
B	ASN149
B	ASP151
B	HOH403
B	HOH421

---

site_id	AC7
Number of Residues	6
Details	binding site for residue MG B 303

Chain	Residue
B	ALA96
B	GLU116
B	HOH407
B	HOH409
B	HOH440
B	HOH447

---

site_id	AC8
Number of Residues	6
Details	binding site for residue MG B 304

Chain	Residue
B	GLU112
B	GLU115
B	GLU116
B	GLU166
B	HOH402
B	HOH410

---

site_id	AC9
Number of Residues	4
Details	binding site for residue PWJ B 305

Chain	Residue
A	TRP28
B	THR45
B	TRP46
B	GLU47

---

site_id	AD1
Number of Residues	6
Details	binding site for residue EDO B 306

Chain	Residue
A	ASP133
B	ARG51
B	MET132
B	CYS139
B	ILE141
B	HOH418

---

site_id	AD2
Number of Residues	6
Details	binding site for residue EDO C 301

Chain	Residue
C	ASP122
C	ASN149
C	ASP152
C	GLU154
C	ASN155
C	HOH443

---

site_id	AD3
Number of Residues	9
Details	binding site for residue MG C 302

Chain	Residue
C	ALA96
C	GLU112
C	GLU116
C	GLU166
C	MG303
C	HOH401
C	HOH440
C	HOH459
C	HOH461

---

site_id	AD4
Number of Residues	7
Details	binding site for residue MG C 303

Chain	Residue
C	ALA96
C	GLU116
C	MG302
C	HOH420
C	HOH421
C	HOH452
C	HOH461

---

site_id	AD5
Number of Residues	7
Details	binding site for residue EDO C 304

Chain	Residue
C	ARG51
C	ARG84
C	PWJ306
C	HOH435
C	HOH452
D	GLY135
D	HOH615

---

site_id	AD6
Number of Residues	4
Details	binding site for residue EDO C 305

Chain	Residue
C	ARG51
C	MET132
C	HOH456
D	ASP133

---

site_id	AD7
Number of Residues	5
Details	binding site for residue PWJ C 306

Chain	Residue
C	TRP28
C	EDO304
D	TRP46
D	GLU47
D	GLY135

---

site_id	AD8
Number of Residues	5
Details	binding site for residue PWJ D 501

Chain	Residue
C	THR45
C	TRP46
C	GLU47
D	TRP28
D	LEU98

---

site_id	AD9
Number of Residues	7
Details	binding site for residue MG D 502

Chain	Residue
D	GLU116
D	MG503
D	HOH608
D	HOH610
D	HOH619
D	HOH634
D	ALA96

---

site_id	AE1
Number of Residues	9
Details	binding site for residue MG D 503

Chain	Residue
D	ALA96
D	GLY97
D	GLU112
D	GLU116
D	GLU166
D	MG502
D	HOH608
D	HOH632
D	HOH634

---

site_id	AE2
Number of Residues	6
Details	binding site for residue EDO D 504

Chain	Residue
C	ASP133
D	ARG51
D	MET132
D	CYS139
D	ILE141
D	HOH624

---

Functional Information from PROSITE/UniProt

site_id	PS00893
Number of Residues	22
Details	NUDIX_BOX Nudix box signature. GliddgEtpeaAAlRELeEEtG

Chain	Residue	Details
A	GLY97-GLY118

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	420
Details	Domain: {"description":"Nudix hydrolase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00794","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	84
Details	Motif: {"description":"Nudix box"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"17052728","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18462755","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21768126","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17052728","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18462755","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21768126","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	8
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"17052728","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"27257257","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"15592455","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	8
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---