2CFW

AGAO in complex with wc7a (Ru-wire inhibitor, 7-carbon linker, data set a)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005507	molecular_function	copper ion binding
A	0008131	molecular_function	primary amine oxidase activity
A	0009308	biological_process	amine metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
A	0048038	molecular_function	quinone binding
A	0052595	molecular_function	aliphatic amine oxidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CU A 701

Chain	Residue
A	HIS431
A	HIS433
A	HIS592
A	HOH2205
A	HOH2234

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 703

Chain	Residue
A	HOH2240
A	ASP440
A	MET441
A	ASP581
A	ILE582

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 A 710

Chain	Residue
A	ASP316
A	CYS317
A	LEU318
A	HIS345
A	GLU347
A	ARG367
A	GOL725
A	HOH2207
A	HOH2366
A	HOH2367

---

site_id	AC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE R7U A 705

Chain	Residue
A	GLU102
A	PHE105
A	ALA135
A	PRO136
A	LEU137
A	TYR296
A	TYR302
A	TYR307
A	ALA308
A	SER356
A	ASN363
A	GLY380
A	ASN381
A	TPQ382
A	HOH2174

---

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 720

Chain	Residue
A	ARG532
A	ARG533
A	THR554
A	PHE557
A	HIS561
A	SER562
A	GLY563
A	GLY564
A	ALA565
A	HOH2318

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 721

Chain	Residue
A	ASN126
A	ASP161
A	VAL197
A	ALA199
A	HOH2368
A	HOH2369

---

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 722

Chain	Residue
A	ASP605
A	LYS610

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 723

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

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 724

Chain	Residue
A	LEU209
A	THR210
A	SER620
A	PRO621
A	VAL622
A	LEU623
A	HOH2370

---

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 725

Chain	Residue
A	GLU347
A	ARG370
A	LYS401
A	SO4710
A	HOH2189
A	HOH2191
A	HOH2214
A	HOH2367
A	HOH2371

---

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 726

Chain	Residue
A	ASN368
A	TYR391
A	ASP393
A	LYS610
A	HOH2372
A	HOH2373
A	HOH2374
A	HOH2375

---

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	ACT_SITE: Proton acceptor => ECO:0000250|UniProtKB:P12807

Chain	Residue	Details
A	ASP298

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: Schiff-base intermediate with substrate; via topaquinone => ECO:0000250|UniProtKB:P12807

Chain	Residue	Details
A	TPQ382

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P12807

Chain	Residue	Details
A	TYR296

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P46883

Chain	Residue	Details
A	ILE379

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	BINDING: BINDING => ECO:0000269|PubMed:9405045, ECO:0007744|PDB:1AV4, ECO:0007744|PDB:1AVL, ECO:0007744|PDB:1IU7, ECO:0007744|PDB:1IVU, ECO:0007744|PDB:1IVV, ECO:0007744|PDB:1IVW, ECO:0007744|PDB:1IVX, ECO:0007744|PDB:1RJO, ECO:0007744|PDB:1SIH, ECO:0007744|PDB:1SII, ECO:0007744|PDB:1UI8, ECO:0007744|PDB:1W4N, ECO:0007744|PDB:1W5Z, ECO:0007744|PDB:1W6C, ECO:0007744|PDB:1W6G, ECO:0007744|PDB:2BT3, ECO:0007744|PDB:2CFD, ECO:0007744|PDB:2CFG, ECO:0007744|PDB:2CFK, ECO:0007744|PDB:2CFL, ECO:0007744|PDB:2CFW, ECO:0007744|PDB:2CG0, ECO:0007744|PDB:2CG1, ECO:0007744|PDB:2CWT, ECO:0007744|PDB:2CWU, ECO:0007744|PDB:2CWV, ECO:0007744|PDB:2D1W, ECO:0007744|PDB:2E2T, ECO:0007744|PDB:2E2U, ECO:0007744|PDB:2E2V, ECO:0007744|PDB:2YX9, ECO:0007744|PDB:2ZL8, ECO:0007744|PDB:3AMO, ECO:0007744|PDB:3KII, ECO:0007744|PDB:3KN4, ECO:0007744|PDB:3WA2, ECO:0007744|PDB:3WA3

Chain	Residue	Details
A	HIS431
A	HIS433
A	HIS592

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	MOD_RES: 2',4',5'-topaquinone => ECO:0000269|PubMed:9405045

Chain	Residue	Details
A	TPQ382

---

Catalytic Information from CSA

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

Chain	Residue	Details
A	ASP298

---