5FW3

Crystal structure of SpCas9 variant VRER bound to sgRNA and TGCG PAM target DNA

Functional Information from GO Data

Chain	GOid	namespace	contents
B	0003677	molecular_function	DNA binding
B	0003723	molecular_function	RNA binding
B	0004518	molecular_function	nuclease activity
B	0004519	molecular_function	endonuclease activity
B	0004520	molecular_function	DNA endonuclease activity
B	0004527	molecular_function	exonuclease activity
B	0008408	molecular_function	3'-5' exonuclease activity
B	0016787	molecular_function	hydrolase activity
B	0043571	biological_process	maintenance of CRISPR repeat elements
B	0046872	molecular_function	metal ion binding
B	0051607	biological_process	defense response to virus

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 1083

Chain	Residue
A	U22
A	HOH2010
A	HOH2011
A	HOH2012
A	HOH2053
A	HOH2054

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 1084

Chain	Residue
A	HOH2029
A	HOH2030
A	HOH2037
A	U50
A	HOH2027
A	HOH2028

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K B 2366

Chain	Residue
A	A68
A	HOH2051
B	GLN1350
B	HOH2075

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K B 2367

Chain	Residue
B	GLU584
B	ARG586
B	ASN588
B	HOH2042
B	HOH2043
B	HOH2044

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K B 2368

Chain	Residue
A	A65
A	U66
A	HOH2045
A	HOH2046
A	HOH2049
B	THR1102

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K A 1182

Chain	Residue
A	G21
A	U45
A	HOH2002
A	HOH2011
A	HOH2022

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K B 2369

Chain	Residue
B	LEU623
B	THR624
B	PHE626
B	TYR656
B	HOH2048
C	HOH2002

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K B 2370

Chain	Residue
B	GLY361
B	TYR362
B	GLY365
B	ALA367
B	LYS401

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE K B 2371

Chain	Residue
B	ILE226
B	LEU229
B	GLU232

---

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K B 2372

Chain	Residue
B	ALA640
B	PHE643

---

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K A 1183

Chain	Residue
A	U12
A	G13

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K B 2373

Chain	Residue
B	GLU57
B	HOH2006
B	HOH2007
B	HOH2077

---

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K B 2374

Chain	Residue
B	LYS111
B	HOH2010

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	17
Details	Region: {"description":"ARM","evidences":[{"source":"PubMed","id":"24505130","evidenceCode":"ECO:0000303"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	47
Details	Region: {"description":"RuvC-II","evidences":[{"source":"PubMed","id":"24505130","evidenceCode":"ECO:0000303"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Motif: {"description":"PAM substrate-binding","evidences":[{"source":"PubMed","id":"25079318","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Active site: {"description":"For RuvC-like nuclease domain","evidences":[{"source":"PubMed","id":"24529477","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Active site: {"description":"Proton acceptor for HNH nuclease domain","evidences":[{"source":"PubMed","id":"24529477","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"24505130","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---