5RB3

PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with XS039249d

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Lysine-specific demethylase 3B	polymer	372	43075.5	2	UniProt (Q7LBC6) Pfam (PF02373) In PDB	Homo sapiens (Human)	JmjC domain-containing histone demethylation protein 2B,Jumonji domain-containing protein 1B,Nuclear protein 5qNCA
2	A, B	1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine	non-polymer		179.2	3	Chemie (MPV)
3	A, B	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
4	A, B	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
5		water	water		18.0	700	Chemie (HOH)

Sequence modifications

A, B: 1380 - 1728 (UniProt: Q7LBC6)

PDB	External Database	Details
Met 1357	-	initiating methionine
His 1358	-	expression tag
His 1359	-	expression tag
His 1360	-	expression tag
His 1361	-	expression tag
His 1362	-	expression tag
His 1363	-	expression tag
Ser 1364	-	expression tag
Ser 1365	-	expression tag
Gly 1366	-	expression tag
Val 1367	-	expression tag
Asp 1368	-	expression tag
Leu 1369	-	expression tag
Gly 1370	-	expression tag
Thr 1371	-	expression tag
Glu 1372	-	expression tag
Asn 1373	-	expression tag
Leu 1374	-	expression tag
Tyr 1375	-	expression tag
Phe 1376	-	expression tag
Gln 1377	-	expression tag
Ser 1378	-	expression tag
Met 1379	-	expression tag
Glu 1601	Gln 1601	conflict
His 1606	Gly 1606	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	86151.0
Non-Polymers*	Number of molecules	10
	Total formula weight	824.9
All*	Total formula weight	86975.9

*Water molecules are not included.