2CFL

AGAO in complex with wc6b (Ru-wire inhibitor, 6-carbon linker, data set b)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005507	molecular_function	copper ion binding
A	0008131	molecular_function	primary methylamine oxidase activity
A	0009308	biological_process	amine metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016641	molecular_function	oxidoreductase activity, acting on the CH-NH2 group of donors, oxygen as acceptor
A	0046872	molecular_function	metal ion binding
A	0048038	molecular_function	quinone binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CU A1629

Chain	Residue
A	HIS431
A	HIS433
A	HIS592
A	HOH2233
A	HOH2235

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A1630

Chain	Residue
A	HOH2239
A	ASP440
A	MET441
A	ASP581
A	ILE582

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 A1632

Chain	Residue
A	ASP316
A	CYS317
A	LEU318
A	HIS345
A	GLY350
A	ARG367
A	GOL1639
A	HOH2368
A	HOH2369
A	HOH2370

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A1633

Chain	Residue
A	THR233
A	GLY234
A	HOH2371

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A1634

Chain	Residue
A	ARG545
A	ASP576
A	HOH2334
A	HOH2372

---

site_id	AC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE R6A A1631

Chain	Residue
A	GLU102
A	PHE105
A	ALA135
A	PRO136
A	LEU137
A	TYR296
A	TYR302
A	ASP357
A	LEU358
A	GLY361
A	ASN363
A	GLY380
A	ASN381
A	TPQ382

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A1635

Chain	Residue
A	ARG532
A	ARG533
A	THR554
A	PHE557
A	HIS561
A	SER562
A	GLY563
A	GLY564
A	ALA565
A	HOH2321

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A1636

Chain	Residue
A	ASN126
A	VAL159
A	ASP161
A	VAL197
A	ALA199
A	HOH2373

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A1637

Chain	Residue
A	ASP444
A	GLY445
A	PHE446
A	THR447
A	ASN499

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A1638

Chain	Residue
A	THR210
A	SER620
A	PRO621
A	VAL622
A	LEU623
A	HOH2374

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A1639

Chain	Residue
A	GLU347
A	ARG370
A	LYS401
A	SO41632
A	HOH2209
A	HOH2214
A	HOH2369

---

Functional Information from PROSITE/UniProt

site_id	PS01164
Number of Residues	14
Details	COPPER_AMINE_OXID_1 Copper amine oxidase topaquinone signature. MVIsfftTigNYDY

Chain	Residue	Details
A	MET371-TYR384

---

site_id	PS01165
Number of Residues	14
Details	COPPER_AMINE_OXID_2 Copper amine oxidase copper-binding site signature. TfGltHFprvEDwP

Chain	Residue	Details
A	THR587-PRO600

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"UniProtKB","id":"P12807","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Schiff-base intermediate with substrate; via topaquinone","evidences":[{"source":"UniProtKB","id":"P12807","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	11
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P12807","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"9405045","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AV4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1AVL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IU7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IVU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IVV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IVW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IVX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RJO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SIH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SII","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1UI8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W4N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W5Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W6C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1W6G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BT3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CFD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CFG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CFK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CFL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CFW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CG0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CG1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CWT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CWU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CWV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2D1W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2E2T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2E2U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2E2V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2YX9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ZL8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3AMO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KII","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KN4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3WA2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3WA3","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"2',4',5'-topaquinone","evidences":[{"source":"PubMed","id":"9405045","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

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

Chain	Residue	Details
A	ASP298

---