7KHO

NicA2 variant N462V in complex with (S)-nicotine

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016491	molecular_function	oxidoreductase activity
B	0016491	molecular_function	oxidoreductase activity
C	0016491	molecular_function	oxidoreductase activity
D	0016491	molecular_function	oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue NCT A 501

Chain	Residue
A	GLU249
A	THR381
A	TRP427
A	ALA461
A	VAL462
A	FAD502

---

site_id	AC2
Number of Residues	32
Details	binding site for residue FAD A 502

Chain	Residue
A	PHE63
A	ALA64
A	GLU83
A	ALA84
A	ARG85
A	GLY89
A	GLY90
A	ARG91
A	THR92
A	GLY105
A	GLY106
A	ALA107
A	TRP108
A	PRO278
A	VAL279
A	VAL308
A	PRO309
A	ILE316
A	PHE422
A	TRP427
A	GLY452
A	ALA453
A	ALA461
A	VAL462
A	ILE463
A	ALA466
A	NCT501
A	HOH602
A	HOH606
A	VAL59
A	GLY60
A	GLY62

---

site_id	AC3
Number of Residues	4
Details	binding site for residue NCT B 501

Chain	Residue
B	LEU217
B	THR381
B	TRP427
B	ALA461

---

site_id	AC4
Number of Residues	32
Details	binding site for residue FAD B 502

Chain	Residue
B	VAL59
B	GLY60
B	GLY62
B	PHE63
B	ALA64
B	GLU83
B	ALA84
B	ARG85
B	GLY89
B	GLY90
B	ARG91
B	THR92
B	PHE104
B	GLY105
B	GLY106
B	ALA107
B	TRP108
B	VAL279
B	VAL308
B	PRO309
B	ILE316
B	PHE422
B	GLY452
B	ALA453
B	ALA461
B	VAL462
B	ILE463
B	ALA466
B	HOH601
B	HOH605
B	HOH606
B	HOH607

---

site_id	AC5
Number of Residues	6
Details	binding site for residue NCT C 501

Chain	Residue
C	LEU217
C	TYR218
C	TRP364
C	THR381
C	TRP427
C	ALA461

---

site_id	AC6
Number of Residues	28
Details	binding site for residue FAD C 502

Chain	Residue
C	THR312
C	ILE316
C	PHE422
C	TRP427
C	ALA453
C	VAL462
C	ILE463
C	ALA466
C	HOH602
C	GLY60
C	GLY61
C	GLY62
C	PHE63
C	ALA64
C	GLU83
C	ALA84
C	ARG85
C	GLY90
C	ARG91
C	THR92
C	GLY105
C	GLY106
C	ALA107
C	TRP108
C	PRO278
C	VAL279
C	VAL308
C	PRO309

---

site_id	AC7
Number of Residues	5
Details	binding site for residue NCT D 501

Chain	Residue
D	TYR218
D	THR381
D	TRP427
D	VAL462
D	FAD502

---

site_id	AC8
Number of Residues	29
Details	binding site for residue FAD D 502

Chain	Residue
D	GLY60
D	GLY61
D	GLY62
D	PHE63
D	ALA64
D	GLU83
D	ALA84
D	ARG85
D	GLY90
D	ARG91
D	PHE104
D	GLY105
D	GLY106
D	ALA107
D	TRP108
D	PRO278
D	VAL279
D	VAL308
D	PRO309
D	THR312
D	PHE422
D	TRP427
D	GLY452
D	ALA453
D	ALA461
D	VAL462
D	ILE463
D	ALA466
D	NCT501

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"27933790","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29812904","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"32873764","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33464876","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5TTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TTK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6C71","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7C49","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7C4A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7KHN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7KHO","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"27933790","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33464876","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5TTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TTK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7KHN","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"27933790","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"32873764","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5TTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TTK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7C49","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7C4A","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"27933790","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29812904","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"32873764","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33464876","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5TTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TTK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6C71","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7C4A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7KHN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7KHO","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"29812904","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33464876","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6C71","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7C49","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7KHN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7KHO","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"27933790","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29812904","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"32873764","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5TTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TTK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6C71","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7C49","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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