4HAY

Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K548E,K579Q)-Ran-RanBP1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	GTP-binding nuclear protein Ran	polymer	216	24456.1	1	UniProt (P62826) Pfam (PF00071) In PDB	Homo sapiens (human)	Androgen receptor-associated protein 24, GTPase Ran, Ras-like protein TC4, Ras-related nuclear protein
2	B	Ran-specific GTPase-activating protein 1	polymer	140	16378.8	1	UniProt (P41920) Pfam (PF00638) In PDB	Saccharomyces cerevisiae (yeast)	Chromosome stability protein 20, Perinuclear array-localized protein, Ran-binding protein 1, RANBP1
3	C	Exportin-1	polymer	1023	117397.8	1	UniProt (P30822) Pfam (PF03810) Pfam (PF08389) Pfam (PF18777) Pfam (PF18784) Pfam (PF18787) Pfam (PF08767) In PDB	Saccharomyces cerevisiae (yeast)	CRM1, Chromosome region maintenance protein 1, Karyopherin-124
4	A	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	1	Chemie (GNP)
5	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6	A, C	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
7	C	Leptomycin B, bound form	non-polymer		560.8	1	Chemie (LMB)
8	C	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
9		water	water		18.0	628	Chemie (HOH)

Sequence modifications

B: 62 - 201 (UniProt: P41920)

PDB	External Database	Details
Lys 98	Ala 98	CONFLICT

C: 1 - 376 (UniProt: P30822)

PDB	External Database	Details
Gly -1	-	EXPRESSION TAG
Ala 0	-	EXPRESSION TAG

C: 414 - 1058 (UniProt: P30822)

PDB	External Database	Details
Cys 539	Thr 539	ENGINEERED MUTATION
Glu 548	Lys 548	ENGINEERED MUTATION
Gln 579	Lys 579	ENGINEERED MUTATION
Cys 1022	Tyr 1022	ENGINEERED MUTATION

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	158232.6
Non-Polymers*	Number of molecules	11
	Total formula weight	1524.0
All*	Total formula weight	159756.6

*Water molecules are not included.