5AQY

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE ADN A 1389

Chain	Residue
A	GLY202
A	ILE343
A	HOH2228
A	HOH2253
A	HOH2314
A	GLY230
A	GLU268
A	LYS271
A	ARG272
A	SER275
A	GLY339
A	SER340
A	ARG342

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 1390

Chain	Residue
A	THR13
A	LYS71
A	ARG72
A	ARG76
A	TYR149
A	PHE150
A	EDO1397

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EDO A 1391

Chain	Residue
A	GLY12
A	THR13
A	LYS71
A	PRO147
A	GLU175
A	THR204
A	EDO1408
A	MG1412
A	HOH2006
A	HOH2169

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 1392

Chain	Residue
A	GLY34
A	ASN35
A	ARG36
A	THR45
A	THR47
A	GLU48
A	HOH2054

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1393

Chain	Residue
A	ALA148
A	ARG155
A	ASN174
A	VAL219
A	EDO1401

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1394

Chain	Residue
A	ARG49
A	LEU50
A	ILE51
A	LYS126
A	HOH2320

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1395

Chain	Residue
A	ASP152
A	GLN156
A	LYS159
A	HOH2178

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1396

Chain	Residue
A	ASN31
A	ASP32
A	THR38
A	ASP53
A	LYS126
A	EDO1398

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 1397

Chain	Residue
A	ARG72
A	ARG76
A	VAL82
A	ASP86
A	THR226
A	HIS227
A	EDO1390

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1398

Chain	Residue
A	ASN31
A	ASP32
A	LYS126
A	ILE130
A	EDO1396
A	HOH2152

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1399

Chain	Residue
A	ARG49
A	TYR107
A	LYS112
A	PHE114
A	EDO1400

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1400

Chain	Residue
A	ARG49
A	GLU118
A	ILE164
A	EDO1399
A	HOH2072
A	HOH2146

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1401

Chain	Residue
A	PHE217
A	GLU218
A	VAL219
A	EDO1393
A	HOH2188

---

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1402

Chain	Residue
A	HIS332
A	ASP333
A	ASP358
A	ASN360
A	HOH2292

---

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1403

Chain	Residue
A	ALA60
A	ALA133
A	TYR134
A	ARG258
A	ARG261
A	HOH2321

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1404

Chain	Residue
A	HIS89
A	HIS227
A	SER85
A	ASP86

---

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1405

Chain	Residue
A	ARG171
A	HIS240
A	GLU243
A	HOH2187
A	HOH2229

---

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 1406

Chain	Residue
A	GLY75
A	PRO116
A	GLU117

---

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 1407

Chain	Residue
A	TYR149
A	GLY224
A	ASP225
A	THR226
A	HOH2210
A	HOH2211
A	HOH2221

---

site_id	CC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 1408

Chain	Residue
A	THR13
A	THR14
A	TYR15
A	GLY201
A	GLY202
A	EDO1391
A	MG1412
A	HOH2294

---

site_id	CC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 1409

Chain	Residue
A	ASP232
A	ASN235
A	ARG236
A	ASN239
A	LYS382
A	SER383
A	THR384
A	HOH2226

---

site_id	CC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1410

Chain	Residue
A	ARG299
A	GLU303
A	LYS348
A	HOH2269
A	HOH2273

---

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS A 1411

Chain	Residue
A	ARG262
A	GLU283
A	ILE284
A	ASP285

---

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 1412

Chain	Residue
A	EDO1391
A	EDO1408
A	HOH2006
A	HOH2009
A	HOH2189
A	HOH2206

---

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. LvLvGGsTRIPkVqK

Chain	Residue	Details
A	LEU334-LYS348

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Modified residue: {"description":"N-acetylalanine","evidences":[{"source":"PubMed","id":"19413330","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"27708256","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---