3IUC

Crystal structure of the human 70kDa heat shock protein 5 (BiP/GRP78) ATPase domain in complex with ADP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005524	molecular_function	ATP binding
A	0016887	molecular_function	ATP hydrolysis activity
C	0005524	molecular_function	ATP binding
C	0016887	molecular_function	ATP hydrolysis activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	24
Details	BINDING SITE FOR RESIDUE ADP A 1

Chain	Residue
A	GLY36
A	ARG297
A	SER300
A	GLY363
A	GLY364
A	SER365
A	ARG367
A	CA411
A	HOH453
A	HOH458
A	HOH479
A	THR37
A	HOH497
A	HOH509
A	HOH528
A	HOH595
A	HOH620
A	THR38
A	TYR39
A	GLY226
A	GLY227
A	GLY255
A	GLU293
A	LYS296

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 2

Chain	Residue
A	HIS252
A	ASP257
A	HOH443
A	HOH544
C	GLY315
C	HOH526

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 411

Chain	Residue
A	ADP1
A	HOH442
A	HOH464
A	HOH528
A	HOH532
A	HOH620

---

site_id	AC4
Number of Residues	26
Details	BINDING SITE FOR RESIDUE ADP C 1

Chain	Residue
C	GLY36
C	THR37
C	THR38
C	TYR39
C	GLY226
C	GLY227
C	GLY255
C	GLU293
C	LYS296
C	ARG297
C	SER300
C	GLY363
C	GLY364
C	SER365
C	ARG367
C	CA412
C	HOH419
C	HOH430
C	HOH443
C	HOH467
C	HOH473
C	HOH482
C	HOH503
C	HOH510
C	HOH523
C	HOH601

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 411

Chain	Residue
A	GLY315
A	HOH432
C	HIS252
C	ASP257
C	HOH452
C	HOH551

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 412

Chain	Residue
C	ADP1
C	HOH419
C	HOH443
C	HOH500
C	HOH560
C	HOH601

---

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	ILE33-SER40

---

site_id	PS00329
Number of Residues	14
Details	HSP70_2 Heat shock hsp70 proteins family signature 2. VFDLGGGTfdvSLL

Chain	Residue	Details
A	VAL222-LEU235

---

site_id	PS01036
Number of Residues	15
Details	HSP70_3 Heat shock hsp70 proteins family signature 3. IvLvGGsTRIPkIqQ

Chain	Residue	Details
A	ILE359-GLN373

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	155
Details	Region: {"description":"Nucleotide-binding (NBD)","evidences":[{"source":"PubMed","id":"28286085","evidenceCode":"ECO:0000303"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	32
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21526763","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P06761","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	6
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P20029","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"3'-nitrotyrosine","evidences":[{"source":"UniProtKB","id":"P20029","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P0DMV8","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P20029","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"25114211","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"25218447","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"25755297","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	4
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO1); alternate","evidences":[{"source":"PubMed","id":"25114211","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1kaz

Chain	Residue	Details
A	LYS96

---

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1kaz

Chain	Residue	Details
C	LYS96

---