5O4P

Crystal structure of AMPylated GRP78

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue SO4 A 601

Chain	Residue
A	ASN59
A	ARG60
A	ILE61
A	ASN457
A	HOH735
A	HOH904

---

site_id	AC2
Number of Residues	10
Details	binding site for residue SO4 A 602

Chain	Residue
A	GLY226
A	GLY227
A	GLY228
A	ALA229
A	HOH701
A	HOH746
A	HOH828
A	THR37
A	LYS96
A	GLU201

---

site_id	AC3
Number of Residues	5
Details	binding site for residue SO4 A 603

Chain	Residue
A	LYS287
A	ARG290
A	ILE309
A	GLU310
A	SER311

---

site_id	AC4
Number of Residues	6
Details	binding site for residue SO4 A 604

Chain	Residue
A	GLN182
A	LYS185
A	ARG532
A	HOH731
A	HOH781
A	HOH804

---

site_id	AC5
Number of Residues	2
Details	binding site for residue SO4 A 605

Chain	Residue
A	ASN528
A	HOH842

---

site_id	AC6
Number of Residues	6
Details	binding site for residue SO4 B 602

Chain	Residue
B	ASN59
B	ARG60
B	ILE61
B	ASN457
B	HOH766
B	HOH814

---

site_id	AC7
Number of Residues	12
Details	binding site for residue SO4 B 603

Chain	Residue
B	GLY36
B	THR37
B	LYS96
B	GLU201
B	GLY226
B	GLY227
B	GLY228
B	ALA229
B	HOH719
B	HOH728
B	HOH844
B	HOH901

---

site_id	AC8
Number of Residues	5
Details	binding site for residue SO4 B 604

Chain	Residue
B	GLN182
B	LYS185
B	ARG532
B	HOH735
B	HOH739

---

site_id	AC9
Number of Residues	3
Details	binding site for residue SO4 B 605

Chain	Residue
B	ASN528
B	HOH787
B	HOH829

---

site_id	AD1
Number of Residues	4
Details	binding site for residue SO4 B 606

Chain	Residue
A	LYS474
B	ASP333
B	ARG336
B	HOH704

---

site_id	AD2
Number of Residues	3
Details	binding site for residue SO4 B 607

Chain	Residue
B	GLN302
B	HIS303
B	GLN304

---

site_id	AD3
Number of Residues	3
Details	binding site for residue SO4 B 608

Chain	Residue
B	GLN302
B	ALA305
B	ARG306

---

site_id	AD4
Number of Residues	7
Details	binding site for residue SO4 B 609

Chain	Residue
B	ILE388
B	ASN389
B	GLU392
B	ALA393
B	TYR396
B	PRO491
B	HOH885

---

site_id	AD5
Number of Residues	3
Details	binding site for Di-peptide AMP B 601 and THR B 518

Chain	Residue
B	GLY517
B	GLY519
B	ASN520

---

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. VFDLGGGAfdvSLL

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	310
Details	Region: {"description":"Nucleotide-binding (NBD)","evidences":[{"source":"UniProtKB","id":"P11021","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	20
Details	Region: {"description":"Interdomain linker","evidences":[{"source":"PubMed","id":"26473973","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	160
Details	Region: {"description":"Substrate-binding (SBD)","evidences":[{"source":"UniProtKB","id":"P11021","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	30
Details	Binding site: {"evidences":[{"source":"PubMed","id":"29064368","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6EOE","evidenceCode":"ECO:0000312"},{"source":"PDB","id":"6EOF","evidenceCode":"ECO:0000312"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P11021","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P06761","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
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_FI8
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_FI9
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_FI10
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_FI11
Number of Residues	2
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"P20029","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI12
Number of Residues	2
Details	Modified residue: {"description":"Omega-N-methylarginine","evidences":[{"source":"UniProtKB","id":"P0DMV8","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI13
Number of Residues	2
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"UniProtKB","id":"P11021","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI14
Number of Residues	4
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO1); alternate","evidences":[{"source":"UniProtKB","id":"P11021","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI15
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine; alternate","evidences":[{"source":"UniProtKB","id":"P11021","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---