Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5AQR

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	0140662	molecular_function	ATP-dependent protein folding chaperone
B	0051087	molecular_function	protein-folding chaperone binding
C	0005524	molecular_function	ATP binding
C	0140662	molecular_function	ATP-dependent protein folding chaperone
D	0051087	molecular_function	protein-folding chaperone binding
E	0005524	molecular_function	ATP binding
E	0140662	molecular_function	ATP-dependent protein folding chaperone
F	0051087	molecular_function	protein-folding chaperone binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS C 1382

Chain	Residue
C	ASP10
C	GLY12
C	LYS71
C	GLU175
C	ASP199
C	GLY201
C	GLY338
C	HOH2196

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS A 1382

Chain	Residue
A	GLY12
A	TYR15
A	LYS71
A	GLU175
A	ASP199
A	GLY201
A	GLY338
A	HOH2048
A	HOH2221
A	ASP10

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS E 1382

Chain	Residue
E	ASP10
E	GLY12
E	LYS71
E	GLU175
E	ASP199
E	GLY201
E	GLY338
E	VAL369
E	HOH2007
E	HOH2107

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE N8Y A 1383

Chain	Residue
A	SER275
A	GLY339
A	ARG342
A	ASP366
A	HOH2165
A	HOH2222

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE N8Y C 1383

Chain	Residue
C	ARG272
C	SER275
C	GLY339
C	ARG342
C	ILE343
C	ASP366
C	HOH2151
C	HOH2198

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE N8Y E 1383

Chain	Residue
E	ARG272
E	SER275
E	GLY339
E	ARG342
E	ASP366
E	HOH2106

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1384

Chain	Residue
A	ASN256
A	ARG258
A	ALA259
A	ARG262
A	SER286
A	LEU287
B	GLN245
B	GOL1261

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

Chain	Residue
C	ASN256
C	ARG262
C	SER286
C	LEU287
D	GLN245
D	GOL1262

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 1384

Chain	Residue
E	ASN256
E	ARG258
E	ARG262
E	LEU287
E	HOH2095
F	GLN245

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 1385

Chain	Residue
C	LYS250
C	LYS251
C	ASP252
D	ASN151
D	ASP232

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL E 1385

Chain	Residue
E	LYS246
E	LYS250
E	LYS251
E	ASP252
F	HOH2003

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 1261

Chain	Residue
A	ARG258
A	GOL1384
B	GLN245
B	ASP252

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 1262

Chain	Residue
B	SER150
B	ASN151
B	GLU155
B	ASN229
B	LYS231
B	ASP232
B	HOH2007

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 1263

Chain	Residue
B	GLU166
B	LYS236
B	GLY239
B	LEU240
B	LYS243
B	HOH2046

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 1262

Chain	Residue
D	ALA249
D	ASP252
C	ARG258
C	GOL1384
C	HOH2138
D	GLN245

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1385

Chain	Residue
A	PHE78
A	VAL95
A	ASN96
A	HOH2075
A	HOH2076
C	PHE354
C	ASN355

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 1386

Chain	Residue
A	HIS249
A	HOH2147
B	ASN257

site_id	BC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1387

Chain	Residue
A	ALA266
A	ARG269
A	ALA270
A	THR273
A	SER281
A	ILE282
A	HOH2162
A	HOH2173

site_id	CC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 1388

Chain	Residue
A	ARG299
A	GLU303

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 1264

Chain	Residue
B	LYS160
B	LYS163
B	HIS164
B	LYS167

site_id	CC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1389

Chain	Residue
A	GLY75
A	ARG76
A	ARG77
A	ARG100
A	GLY136
A	SER153
A	HOH2055

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 1386

Chain	Residue
C	ARG100
C	SER153
C	GLN156
C	ALA157
C	ASP160
C	HOH2048

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1390

Chain	Residue
A	GLU255
A	ASN256
A	LYS257
A	HOH2151

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 1387

Chain	Residue
C	MET87
C	TRP90
C	MET93
C	HOH2059

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS C 1388

Chain	Residue
C	LYS71
C	ARG72
C	ARG76
C	TYR149

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS A 1391

Chain	Residue
A	LYS71
A	ARG72
A	ARG76
A	TYR149

site_id	CC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS A 1392

Chain	Residue
A	ALA60
A	ARG261
A	HOH2155

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS A 1393

Chain	Residue
A	ILE28
A	ILE29
A	ALA30
A	ARG36
A	TYR134
A	HOH2226

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS E 1386

Chain	Residue
E	THR13
E	LYS71
E	ARG76
E	TYR149
E	PHE150
E	THR204

site_id	DC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE DMS A 1396

Chain	Residue
A	PHE21

site_id	DC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS E 1387

Chain	Residue
E	ILE28
E	ILE29
E	ALA30
E	ARG36
E	TYR134

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	3
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:20068231

Chain	Residue	Details
B	SER152
D	SER152
F	SER152
C	LYS71
E	GLY12
E	LYS71

site_id	SWS_FT_FI2
Number of Residues	21
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P19120

Chain	Residue	Details
A	THR14
C	GLY202
C	GLU268
C	LYS271
C	SER275
C	GLY339
E	THR14
E	TYR15
E	GLY202
E	GLU268
E	LYS271
A	TYR15
E	SER275
E	GLY339
A	GLY202
A	GLU268
A	LYS271
A	SER275
A	GLY339
C	THR14
C	TYR15

site_id	SWS_FT_FI3
Number of Residues	3
Details	MOD_RES: N-acetylserine => ECO:0000269\|Ref.5, ECO:0000269\|Ref.6, ECO:0007744\|PubMed:19413330

Chain	Residue	Details
A	SER2
C	SER2
E	SER2

site_id	SWS_FT_FI4
Number of Residues	6
Details	MOD_RES: N6-acetyllysine => ECO:0000250\|UniProtKB:P63017

Chain	Residue	Details
A	LYS108
A	LYS328
C	LYS108
C	LYS328
E	LYS108
E	LYS328

site_id	SWS_FT_FI5
Number of Residues	3
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:17525332

Chain	Residue	Details
A	SER153
C	SER153
E	SER153

site_id	SWS_FT_FI6
Number of Residues	3
Details	MOD_RES: N6-acetyllysine => ECO:0007744\|PubMed:19608861

Chain	Residue	Details
A	LYS246
C	LYS246
E	LYS246

site_id	SWS_FT_FI7
Number of Residues	3
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250\|UniProtKB:P63017

Chain	Residue	Details
A	LYS319
C	LYS319
E	LYS319

site_id	SWS_FT_FI8
Number of Residues	3
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:23186163

Chain	Residue	Details
A	SER329
C	SER329
E	SER329

site_id	SWS_FT_FI9
Number of Residues	3
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:20068231

Chain	Residue	Details
A	SER362
C	SER362
E	SER362

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