7OY0

Structure of human Spermine Oxidase in complex with a highly selective allosteric inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Spermine oxidase,Spermine oxidase,Spermine oxidase	polymer	494	54851.7	1	UniProt (Q9NWM0) Pfam (PF01593) In PDB	Homo sapiens (Human)	Polyamine oxidase 1,PAO-1,PAOh1,Polyamine oxidase 1,PAO-1,PAOh1,Polyamine oxidase 1,PAO-1,PAOh1
2	A	FAD-MDL72527 adduct	non-polymer		977.9	1	Chemie (6YU)
3	A	4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol	non-polymer		308.4	1	Chemie (3EI)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5		water	water		18.0	89	Chemie (HOH)

Sequence modifications

A: 5 - 250 (UniProt: Q9NWM0)

PDB	External Database	Details
Gly 1	-	expression tag
Gly 2	-	expression tag
Pro 3	-	expression tag
Gly 4	-	expression tag
-	Ala 271	deletion
-	Arg 272	deletion
-	Pro 273	deletion
-	Arg 274	deletion
-	Gly 275	deletion
-	Pro 276	deletion
-	Glu 277	deletion
-	Ile 278	deletion
-	Glu 279	deletion
-	Pro 280	deletion
-	Arg 281	deletion
-	Gly 282	deletion
-	Glu 283	deletion
-	Gly 284	deletion
-	Asp 285	deletion
-	His 286	deletion
-	Asn 287	deletion
-	His 288	deletion
-	Asp 289	deletion
-	Thr 290	deletion
-	Gly 291	deletion
-	Glu 292	deletion
-	Gly 293	deletion
-	Gly 294	deletion
-	Gln 295	deletion
-	Gly 296	deletion
-	Gly 297	deletion
-	Glu 298	deletion
-	Glu 299	deletion
-	Pro 300	deletion
-	Arg 301	deletion
-	Gly 302	deletion
-	Gly 303	deletion
-	Arg 304	deletion
-	Trp 305	deletion
-	Asp 306	deletion
-	Glu 307	deletion
-	Asp 308	deletion
-	Glu 309	deletion
-	Gln 310	deletion
-	Trp 311	deletion

A: 256 - 446 (UniProt: Q9NWM0)

PDB	External Database	Details
Gly 251	-	linker
Ser 252	-	linker
Gly 253	-	linker
Ser 254	-	linker
Gly 255	-	linker
Thr 382	Lys 438	conflict
Leu 383	Cys 439	conflict
Ser 384	Asp 440	conflict
-	Tyr 503	deletion
-	Thr 504	deletion
-	Glu 505	deletion
-	Ser 506	deletion
-	Ser 507	deletion
-	Lys 508	deletion
-	Thr 509	deletion
-	Ala 510	deletion
-	Pro 511	deletion
-	Met 512	deletion

A: 449 - 489 (UniProt: Q9NWM0)

PDB	External Database	Details
Gly 447	-	linker
Leu 448	-	linker
Ser 490	-	expression tag
Arg 491	-	expression tag
Pro 492	-	expression tag
Arg 493	-	expression tag
Leu 494	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	54851.7
Non-Polymers*	Number of molecules	3
	Total formula weight	1321.7
All*	Total formula weight	56173.4

*Water molecules are not included.