Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5AQJ

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	3
Details	BINDING SITE FOR RESIDUE CL E 1382

Chain	Residue
E	ILE28
E	ALA30
E	TYR134

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 1382

Chain	Residue
A	ILE28
A	ALA30

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL C 1382

Chain	Residue
C	ILE28
C	ALA30

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE Q88 E 1383

Chain	Residue
E	GLY339
E	ARG342
E	HOH2162
E	HOH2197
E	ARG272
E	SER275

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE Q88 A 1383

Chain	Residue
A	ARG272
A	SER275
A	GLY339
A	ARG342
A	HOH2117

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE Q88 C 1383

Chain	Residue
C	ARG272
C	SER275
C	GLY339
C	ARG342
C	ASP366
C	GOL1386
C	HOH2257
C	HOH2258
C	HOH2327

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 1384

Chain	Residue
C	ASN256
C	ARG258
C	ALA259
C	ARG262
C	SER286
C	LEU287
D	GLN245

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 1261

Chain	Residue
B	PRO147
B	GLY149
B	SER150
B	ASN151
B	GLU155
B	ASN229
B	LYS231
B	ASP232

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 1261

Chain	Residue
D	GLY149
D	SER150
D	ASN151
D	GLU155
D	ASN229
D	LYS231
D	ASP232
E	GOL1384

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL F 1261

Chain	Residue
F	SER150
F	ASN151
F	GLU155
F	ASN229
F	LYS231
F	ASP232
F	HOH2002

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 1384

Chain	Residue
A	ASN256
A	ARG262
A	LEU287
B	GLN245
B	LEU248

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL E 1384

Chain	Residue
D	GLY149
D	SER150
D	GOL1261
E	GLU244
E	THR295
E	SER296
E	HOH2144
E	HOH2167
E	HOH2173

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 1385

Chain	Residue
C	GLU244
C	LYS248
C	THR295

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 1386

Chain	Residue
C	GLY201
C	GLY202
C	GLY230
C	SER340
C	Q881383

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 1387

Chain	Residue
C	TYR149
C	PHE150
C	ASN151
C	ASP152
C	ARG155
C	HOH2329

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 1388

Chain	Residue
C	ARG49
C	ILE51
C	GLU129
C	HOH2064

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL E 1385

Chain	Residue
E	ARG49
E	ILE51
E	THR125
E	GLU129

site_id	BC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL E 1386

Chain	Residue
E	HOH2153
E	HOH2172
F	GLN245
E	ASN256
E	ARG258
E	ALA259
E	ARG262
E	SER286
E	LEU287

site_id	CC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL C 1389

Chain	Residue
C	SER254
D	LYS163

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 1390

Chain	Residue
C	ARG342
C	LYS361
C	SER362
C	ASN364
C	PRO365
C	HOH2315

site_id	CC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL E 1387

Chain	Residue
E	SER85
E	LYS88
E	HIS89

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 1385

Chain	Residue
A	ARG49
A	ILE51
A	GLU129

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS C 1391

Chain	Residue
C	LYS71
C	ARG72
C	ARG76
C	TYR149
C	HOH2084

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS E 1388

Chain	Residue
E	THR13
E	ARG72
E	ARG76
E	TYR149
E	HOH2054

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 1386

Chain	Residue
A	LYS71
A	ARG72
A	ARG76
A	TYR149
A	HOH2040

site_id	CC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS A 1387

Chain	Residue
A	ASP10
A	GLY12
A	LYS71
A	GLU175
A	ASP199
A	GLY201
A	VAL337
A	GLY338
A	VAL369
A	HOH2170

site_id	CC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS E 1389

Chain	Residue
E	ASP10
E	GLY12
E	LYS71
E	GLU175
E	ASP199
E	GLY201
E	VAL369
E	HOH2211

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)