4IN4

Crystal structure of cpd 15 bound to Keap1 Kelch domain

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0034976	biological_process	response to endoplasmic reticulum stress
B	0034976	biological_process	response to endoplasmic reticulum stress
C	0034976	biological_process	response to endoplasmic reticulum stress

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PO4 A 701

Chain	Residue
A	ARG459
A	HOH853

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 A 702

Chain	Residue
A	ILE435
A	HIS437
A	ASN438
A	SER439
A	ARG459
A	HOH830
A	HOH864

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 A 703

Chain	Residue
A	ARG326
A	HIS562
A	GLN563

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 A 704

Chain	Residue
A	ARG380
A	ARG415
A	4ID706
B	ARG380
B	ASN387
B	PO4703
B	4ID704

---

site_id	AC5
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 4ID A 705

Chain	Residue
A	TYR334
A	SER363
A	GLY364
A	ARG380
A	ARG415
A	GLY509
A	ALA556
A	PHE577
A	SER602
A	GLY603
A	4ID706
A	HOH806
B	PO4703
B	4ID705

---

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 4ID A 706

Chain	Residue
A	ARG415
A	PHE478
A	ARG483
A	SER508
A	TYR525
A	GLN530
A	SER555
A	PO4704
A	4ID705
A	HOH835
B	4ID704
B	4ID705

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 B 701

Chain	Residue
B	ILE435
B	HIS437
B	ASN438
B	SER439
B	ARG459

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 B 702

Chain	Residue
B	ARG326
B	HIS562
B	GLN563

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 B 703

Chain	Residue
A	ARG380
A	ASN387
A	PO4704
A	4ID705
B	ARG380
B	ARG415
B	4ID705

---

site_id	BC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 4ID B 704

Chain	Residue
A	PO4704
A	4ID706
B	TYR334
B	SER363
B	GLY364
B	ARG415
B	GLY509
B	ALA556
B	TYR572
B	SER602
B	GLY603
B	4ID705

---

site_id	BC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 4ID B 705

Chain	Residue
A	4ID705
A	4ID706
A	HOH835
B	ARG483
B	SER508
B	TYR525
B	GLN530
B	SER555
B	PO4703
B	4ID704

---

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 C 701

Chain	Residue
C	ILE435
C	HIS437
C	ASN438
C	SER439
C	ARG459

---

site_id	BC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 4ID C 702

Chain	Residue
B	ASN401
C	TYR334
C	SER363
C	GLY364
C	ARG415
C	GLY509
C	ALA556
C	PHE577
C	SER602
C	GLY603
C	4ID703
C	HOH801

---

site_id	BC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 4ID C 703

Chain	Residue
B	ARG354
B	LEU355
B	ASP357
C	ARG415
C	PHE478
C	ARG483
C	SER508
C	TYR525
C	GLN530
C	SER555
C	4ID702

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	135
Details	Repeat: {"description":"Kelch 1"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	150
Details	Repeat: {"description":"Kelch 2"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	138
Details	Repeat: {"description":"Kelch 3"}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	138
Details	Repeat: {"description":"Kelch 4"}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	138
Details	Repeat: {"description":"Kelch 5"}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	Site: {"description":"Sensor for electrophilic agents","evidences":[{"source":"UniProtKB","id":"Q9Z2X8","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	3
Details	Modified residue: {"description":"S-cGMP-cysteine","evidences":[{"source":"UniProtKB","id":"Q9Z2X8","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---