5AQQ

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	5
Details	BINDING SITE FOR RESIDUE BBW A 1382

Chain	Residue
A	ARG272
A	SER275
A	GLY339
A	ARG342
A	HOH2025

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE BBW C 1382

Chain	Residue
C	SER340
C	ARG342
C	LYS271
C	ARG272
C	SER275
C	GLY339

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE BBW E 1382

Chain	Residue
E	ARG272
E	SER275
E	GLY339
E	SER340
E	ARG342
E	ILE343

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS C 1383

Chain	Residue
C	THR13
C	LYS71
C	ARG72
C	TYR149

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS A 1383

Chain	Residue
A	ARG72
A	TYR149

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS E 1383

Chain	Residue
E	LYS71
E	ARG72
E	TYR149

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1384

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

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 1261

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

---

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

Chain	Residue
C	ARG258
C	ALA259
C	ARG262
C	LEU287
D	GLN245
D	LEU248

---

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS A 1385

Chain	Residue
A	ASP10
A	GLY12
A	LYS71
A	GLU175
A	ASP199
A	GLY201
A	THR204
A	HOH2017

---

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

---