3E7A

Crystal Structure of Protein Phosphatase-1 Bound to the natural toxin Nodularin-R

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016787	molecular_function	hydrolase activity
B	0016787	molecular_function	hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MN A 402

Chain	Residue
A	ASP64
A	HIS66
A	ASP92
A	MN403
A	HOH669
C	HOH769

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MN A 403

Chain	Residue
A	HIS248
A	MN402
A	HOH669
A	ASP92
A	ASN124
A	HIS173

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IOD A 301

Chain	Residue
A	LYS260
A	GLN262
A	HOH681

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IOD A 302

Chain	Residue
A	LYS113
A	ARG132
A	HOH591

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE IOD A 303

Chain	Residue
A	GLY97
A	SER100
A	GLY135
A	PHE136
A	GLU139
A	HOH483

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IOD A 404

Chain	Residue
A	ARG261
B	ILE295
B	HOH548

---

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 405

Chain	Residue
A	LYS260
A	ARG261

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 406

Chain	Residue
A	GLN99
A	CL304

---

site_id	AC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 407

Chain	Residue
A	HOH636

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 408

Chain	Residue
A	ARG142
A	HOH530
A	HOH720

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 304

Chain	Residue
A	LYS98
A	IOD406
A	HOH740

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL A 305

Chain	Residue
A	GLN198
A	GLY199
A	ASP203
A	PHE225
A	HOH449
A	HOH761

---

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 409

Chain	Residue
A	GLN49
A	PRO50
A	GLU54
A	PHE119
A	HOH533
A	HOH643
A	HOH655

---

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MN B 402

Chain	Residue
B	ASP64
B	HIS66
B	ASP92
B	MN403
B	HOH698
D	HOH724

---

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MN B 403

Chain	Residue
B	ASP92
B	ASN124
B	HIS173
B	HIS248
B	MN402
B	HOH698

---

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD B 301

Chain	Residue
A	ILE295
B	ARG261

---

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD B 302

Chain	Residue
B	LYS260
B	ARG261

---

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE IOD B 404

Chain	Residue
B	GLY97
B	SER100
B	GLY135
B	PHE136
B	GLU139
B	HOH521

---

site_id	CC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD B 406

Chain	Residue
B	GLN262
B	HOH703

---

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IOD B 408

Chain	Residue
B	TYR69
B	TYR70
B	GLN99

---

site_id	CC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE AZI B 303

Chain	Residue
B	GLY215
B	GLU230
B	VAL231

---

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE AZI B 410

Chain	Residue
B	SER129
B	ARG132
B	HOH451

---

site_id	CC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 411

Chain	Residue
B	GLN49
B	PRO50
B	LEU53
B	GLU54
B	GLU116
B	PHE119
B	HOH667

---

site_id	CC6
Number of Residues	22
Details	BINDING SITE FOR CHAIN C OF nodularin R

Chain	Residue
A	TYR272
A	GLU275
A	PHE276
B	GLU184
B	ARG187
C	HOH389
C	HOH766
C	HOH767
C	HOH768
C	HOH769
C	HOH770
C	HOH774
C	HOH775
C	HOH776
A	ARG96
A	SER129
A	TYR134
A	VAL195
A	PRO196
A	TRP206
A	ASP220
A	ARG221

---

site_id	CC7
Number of Residues	20
Details	BINDING SITE FOR CHAIN D OF nodularin R

Chain	Residue
B	ARG96
B	SER129
B	TYR134
B	VAL195
B	PRO196
B	ASP197
B	TRP206
B	ARG221
B	VAL223
B	TYR272
B	GLU275
B	PHE276
B	HOH607
B	HOH710
D	HOH719
D	HOH720
D	HOH721
D	HOH722
D	HOH723
D	HOH724

---

Functional Information from PROSITE/UniProt

site_id	PS00125
Number of Residues	6
Details	SER_THR_PHOSPHATASE Serine/threonine specific protein phosphatases signature. LRGNHE

Chain	Residue	Details
A	LEU121-GLU126

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"P36873","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"30100357","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"35830882","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"35831509","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"36175670","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"39446389","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6CZO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7TVF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7TXH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7UPI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8SW5","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1aui

Chain	Residue	Details
A	ASP95
A	HIS125

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1aui

Chain	Residue	Details
B	ASP95
B	HIS125

---