Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5AQO

Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005524	molecular_function	ATP binding
A	0016887	molecular_function	ATP hydrolysis activity
B	0051087	molecular_function	protein-folding chaperone binding
C	0005524	molecular_function	ATP binding
C	0016887	molecular_function	ATP hydrolysis activity
D	0051087	molecular_function	protein-folding chaperone binding
E	0005524	molecular_function	ATP binding
E	0016887	molecular_function	ATP hydrolysis activity
F	0051087	molecular_function	protein-folding chaperone binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 1382

Chain	Residue
C	ASN256
C	ARG258
C	ARG262
C	LEU287
C	HOH2216
D	LEU218
D	GLN245

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL E 1382

Chain	Residue
E	ARG262
E	LEU287
F	GLN245
E	ASN256
E	ARG258

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1382

Chain	Residue
A	ASN256
A	ARG258
A	ARG262
A	SER286
A	LEU287
B	GLN245

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 1383

Chain	Residue
C	GLY201
C	GLY202
C	GLY229
C	GLY230
C	SER340
C	CWS1391
C	HOH2018

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 1261

Chain	Residue
D	LEU148
D	GLY149
D	SER150
D	ASN151
D	GLU155
D	ASN229
D	LYS231
D	ASP232

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 1261

Chain	Residue
B	GLY149
B	SER150
B	GLU155
B	ASN229
B	LYS231
B	ASP232

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL E 1383

Chain	Residue
E	GLY230
E	ASP234
E	LYS271

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 1384

Chain	Residue
C	HIS23
C	ALA148
C	PHE150
C	ASN151
C	ASP152
C	ARG155

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 1385

Chain	Residue
C	GLN33
C	ASN35
C	HOH2030
C	HOH2031

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 1262

Chain	Residue
B	ALA249
B	HOH2028
B	HOH2030
B	HOH2033

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 1263

Chain	Residue
B	GLU250
B	HOH2028
B	HOH2033
F	LYS242

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL F 1261

Chain	Residue
F	GLU158
F	LYS161
F	THR223
F	LEU224
F	ILE225

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL C 1386

Chain	Residue
C	ARG299
C	GLU303

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1383

Chain	Residue
A	LYS257
A	ARG258
A	ARG261
A	HOH2074
A	HOH2104
B	ILE211
B	MET215

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 1387

Chain	Residue
C	SER277
C	GLN279
C	HOH2206
C	HOH2207

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 1388

Chain	Residue
B	PHE190
C	ARG236
C	LEU305
C	HOH2164
C	HOH2165
D	GLN154
D	VAL157

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 1389

Chain	Residue
C	ARG261
C	HOH2180
C	HOH2181

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL E 1384

Chain	Residue
E	ASP232
E	ASN235
E	ARG236
E	LEU309
E	HOH2118

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 1264

Chain	Residue
B	GLN187
B	LEU200
B	ASN257
E	HIS249
E	LYS251

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 1390

Chain	Residue
C	LYS251
D	GLN187
D	ASN257
C	HIS249

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL F 1262

Chain	Residue
F	SER150
F	ASN151
F	GLU155
F	ASN229
F	LYS231
F	ASP232

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CWS A 1384

Chain	Residue
A	ARG272
A	SER275
A	GLY339
A	ARG342
A	HOH2084
A	HOH2102

site_id	CC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CWS C 1391

Chain	Residue
C	ARG272
C	SER275
C	GLY339
C	ARG342
C	GOL1383
C	HOH2195

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CWS E 1385

Chain	Residue
E	SER275
E	GLY339
E	ARG342
E	HOH2144

site_id	CC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS E 1386

Chain	Residue
E	ASP10
E	GLY12
E	LYS71
E	GLU175
E	ASP199
E	GLY201
E	GLY338
E	HOH2190

site_id	CC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS C 1392

Chain	Residue
C	ASP10
C	GLY12
C	TYR15
C	GLU175
C	ASP199
C	GLY201
C	GLY338
C	VAL369
C	HOH2015
C	HOH2251

site_id	CC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS A 1385

Chain	Residue
A	ASP10
A	GLY12
A	ASP199
A	GLY201
A	VAL337
A	GLY338
A	VAL369
A	HOH2011
A	HOH2103

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS C 1393

Chain	Residue
C	ARG72
C	ARG76
C	TYR149
C	THR226

site_id	DC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS E 1387

Chain	Residue
E	THR13
E	ARG72
E	ARG76
E	TYR149
E	THR226

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 1386

Chain	Residue
A	LYS71
A	ARG72
A	ARG76
A	TYR149
A	HOH2026

site_id	DC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL C 1394

Chain	Residue
C	ILE28
C	ALA30

site_id	DC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL E 1388

Chain	Residue
E	ILE28
E	ALA30

site_id	DC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 1387

Chain	Residue
A	ILE28
A	ALA30
A	HOH2013

Functional Information from PROSITE/UniProt

site_id	PS00297
Number of Residues	8
Details	HSP70_1 Heat shock hsp70 proteins family signature 1. IDLGTTyS

Chain	Residue	Details
A	ILE9-SER16

site_id	PS00329
Number of Residues	14
Details	HSP70_2 Heat shock hsp70 proteins family signature 2. IFDLGGGTfdvSIL

Chain	Residue	Details
A	ILE197-LEU210

site_id	PS01036
Number of Residues	15
Details	HSP70_3 Heat shock hsp70 proteins family signature 3. IvLvGGsTRIPkIqK

Chain	Residue	Details
A	ILE334-LYS348

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	573
Details	Region: {"description":"Interaction with BAG1"}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	48
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	21
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P19120","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	3
Details	Modified residue: {"description":"N-acetylserine","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"MAR-2009","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V.","Waridel P.","Quadroni M."]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JAN-2010","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V.","Lilla S.","von Kriegsheim A.","Lempens A.","Kolch W.","Bilsland A.E.","Keith W.N."]}},{"source":"PubMed","id":"19413330","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	6
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P63017","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	3
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"17525332","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	3
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	3
Details	Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P63017","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	3
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	6
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	240
Details	Domain: {"description":"BAG","evidences":[{"source":"PROSITE-ProRule","id":"PRU00369","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)