2CFD

AGAO in complex with wc4l3 (Ru-wire inhibitor, 4-carbon linker, lambda enantiomer, data set 3)

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
B	0005507	molecular_function	copper ion binding
B	0008131	molecular_function	primary amine oxidase activity
B	0009308	biological_process	amine metabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
B	0048038	molecular_function	quinone binding
B	0052595	molecular_function	aliphatic amine oxidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CU A 701

Chain	Residue
A	HIS431
A	HIS433
A	HIS592
A	HOH2129

---

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

Chain	Residue
A	ASP440
A	MET441
A	ASP581
A	ILE582
A	HOH2156

---

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

Chain	Residue
A	GLY350
A	ARG367
A	HOH2264
A	HOH2265
B	ASP316
B	CYS317
B	LEU318
B	HIS345
B	GOL725
B	HOH2214

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CU B 701

Chain	Residue
B	HIS431
B	HIS433
B	HIS592
B	HOH2218
B	HOH2242

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA B 703

Chain	Residue
B	ASP440
B	MET441
B	ASP581
B	ILE582
B	HOH2248

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 B 710

Chain	Residue
A	ASP316
A	CYS317
A	LEU318
A	GOL725
B	GLY350
B	ARG367
B	HOH2379
B	HOH2380
B	HOH2381

---

site_id	AC7
Number of Residues	15
Details	BINDING SITE FOR RESIDUE R4A A 705

Chain	Residue
A	GLU102
A	PHE105
A	ALA135
A	PRO136
A	TYR302
A	GLN306
A	TYR307
A	ASN309
A	ARG336
A	GLY380
A	ASN381
A	TPQ382
B	SER356
B	ASP357
B	LEU358

---

site_id	AC8
Number of Residues	17
Details	BINDING SITE FOR RESIDUE R4A B 705

Chain	Residue
A	SER356
A	ASP357
A	LEU358
B	GLU102
B	PHE105
B	ALA135
B	PRO136
B	LEU137
B	TRP168
B	TYR302
B	GLN306
B	TYR307
B	ASN309
B	ARG336
B	GLY380
B	ASN381
B	TPQ382

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 723

Chain	Residue
A	GLY445
A	PHE446
A	THR447
A	ASN499

---

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

Chain	Residue
A	GLU347
A	ARG370
A	LYS401
A	HOH2112
A	HOH2136
A	HOH2266
B	SO4710
B	HOH2204
B	HOH2380

---

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 720

Chain	Residue
B	ARG532
B	ARG533
B	THR554
B	HIS561
B	SER562
B	GLY563
B	GLY564
B	ALA565
B	HOH2327

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 721

Chain	Residue
B	ASN126
B	ASP161
B	VAL197
B	ALA199
B	HOH2382
B	HOH2383

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 723

Chain	Residue
B	GLY445
B	PHE446
B	THR447
B	ASN499
B	ASP444

---

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 725

Chain	Residue
A	TRP349
A	GLY350
A	SO4710
B	GLU347
B	ARG370
B	LYS401
B	HOH2384
B	HOH2385

---

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 726

Chain	Residue
A	HOH2247
B	ASN368
B	TYR391
B	ASP393
B	LYS610
B	HOH2224
B	HOH2386

---

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	2
Details	ACT_SITE: Proton acceptor => ECO:0000250|UniProtKB:P12807

Chain	Residue	Details
A	ASP298
B	ASP298

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	ACT_SITE: Schiff-base intermediate with substrate; via topaquinone => ECO:0000250|UniProtKB:P12807

Chain	Residue	Details
A	TPQ382
B	TPQ382

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P12807

Chain	Residue	Details
A	TYR296
B	TYR296

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P46883

Chain	Residue	Details
A	ILE379
B	ILE379

---

site_id	SWS_FT_FI5
Number of Residues	6
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
B	HIS431
B	HIS433
B	HIS592

---

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

Chain	Residue	Details
A	TPQ382
B	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

---

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1oac

Chain	Residue	Details
B	ASP298

---