5AQW

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 5P7 A 1385

Chain	Residue
A	THR14
A	SER340
A	ARG342
A	PO41386
A	EDO1395
A	HOH2295
A	HOH2326
A	HOH2414
A	TYR15
A	GLY202
A	GLY230
A	GLU268
A	LYS271
A	ARG272
A	SER275
A	GLY339

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 1400

Chain	Residue
A	PO41386
A	HOH2007
A	HOH2010
A	HOH2239
A	HOH2240
A	HOH2257

---

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE PO4 A 1386

Chain	Residue
A	THR13
A	THR14
A	TYR15
A	GLY201
A	GLY202
A	5P71385
A	MG1400
A	HOH2013
A	HOH2240
A	HOH2257
A	HOH2259

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DTV A 1387

Chain	Residue
A	PHE21
A	VAL375
A	ILE379

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 1388

Chain	Residue
A	LYS126
A	GLU129

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 1389

Chain	Residue
A	ASP32
A	GLU303
A	HOH2353

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1390

Chain	Residue
A	LEU61
A	TYR115
A	GLU117
A	GLU118
A	ARG258
A	HOH2170

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1391

Chain	Residue
A	GLN93
A	GLN104
A	VAL105
A	SER106
A	HOH2110
A	HOH2164

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 1392

Chain	Residue
A	LYS71
A	ARG72
A	ARG76
A	TYR149
A	PHE150
A	HOH2016
A	HOH2118

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1393

Chain	Residue
A	GLY24
A	PRO81
A	VAL82
A	HOH2420

---

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 1394

Chain	Residue
A	SER153
A	HOH2212

---

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1395

Chain	Residue
A	TYR15
A	THR37
A	ARG272
A	5P71385
A	HOH2414

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1396

Chain	Residue
A	VAL59
A	ARG261
A	ARG264
A	THR265

---

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 1397

Chain	Residue
A	ASN57
A	GLN58
A	ALA60
A	LEU61
A	ARG258
A	HOH2094
A	HOH2095
A	HOH2317

---

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 1398

Chain	Residue
A	ARG171
A	ILE173
A	HOH2423

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1399

Chain	Residue
A	ILE172
A	ILE173
A	ASN174
A	HOH2241
A	HOH2423

---

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	5
Details	BINDING:

Chain	Residue	Details
A	GLY339
A	GLY12
A	LYS71
A	GLY202
A	GLU268

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	MOD_RES: N-acetylalanine => ECO:0007744|PubMed:19413330

Chain	Residue	Details
A	ALA2

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:27708256

Chain	Residue	Details
A	LYS77

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861

Chain	Residue	Details
A	LYS246
A	LYS348
A	LYS108

---