5AQL

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS A 1382

Chain	Residue
A	ASP10
A	HOH2362
A	GLY12
A	LYS71
A	GLU175
A	ASP199
A	GLY201
A	GLY338
A	VAL369
A	HOH2361

---

site_id	AC2
Number of Residues	12
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	VAL369
C	HOH2018
C	HOH2081
C	HOH2353
C	HOH2354

---

site_id	AC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TRS C 1383

Chain	Residue
C	ASN256
C	ARG258
C	ALA259
C	ARG262
C	SER286
C	LEU287
C	TYR288
C	HOH2252
C	HOH2257
C	HOH2293
D	LEU218
D	GLN245

---

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TRS A 1383

Chain	Residue
A	ASN256
A	ARG258
A	ALA259
A	ARG262
A	SER286
A	LEU287
A	TYR288
A	HOH2275
A	HOH2278
A	HOH2316
B	LEU218
B	GLN245

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 1261

Chain	Residue
A	HIS249
A	LYS251
B	LEU183
B	GLN187
B	LEU200
B	ASN257

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 1262

Chain	Residue
B	LEU148
B	GLY149
B	SER150
B	ASN151
B	GLU155
B	ASN229
B	PHE230
B	LYS231
B	ASP232

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 1261

Chain	Residue
D	SER150
D	ASN151
D	GLU155
D	ASN229
D	PHE230
D	LYS231
D	ASP232

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 1384

Chain	Residue
A	ARG171
A	GLN376
C	ASP214
C	ILE216
C	HOH2361

---

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 1263

Chain	Residue
A	HOH2314
B	LYS242
B	ALA249
B	GLU250
B	THR253
B	HOH2089
B	HOH2094
B	HOH2106
B	HOH2107

---

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	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:20068231

Chain	Residue	Details
B	SER152
D	SER152
C	GLY12
C	LYS71

---

site_id	SWS_FT_FI2
Number of Residues	14
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P19120

Chain	Residue	Details
A	THR14
C	GLY202
C	GLU268
C	LYS271
C	TRP275
C	GLY339
A	TYR15
A	GLY202
A	GLU268
A	LYS271
A	TRP275
A	GLY339
C	THR14
C	TYR15

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: N-acetylserine => ECO:0000269|Ref.5, ECO:0000269|Ref.6, ECO:0007744|PubMed:19413330

Chain	Residue	Details
A	SER2
C	SER2

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P63017

Chain	Residue	Details
A	LYS108
A	LYS328
C	LYS108
C	LYS328

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:17525332

Chain	Residue	Details
A	SER153
C	SER153

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861

Chain	Residue	Details
A	LYS246
C	LYS246

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:P63017

Chain	Residue	Details
A	LYS319
C	LYS319

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER329
C	SER329

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:20068231

Chain	Residue	Details
A	SER362
C	SER362

---