4HAU

Crystal structure of CRM1 inhibitor Ratjadone A in complex with CRM1-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	117382.9	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	4	Chemie (EDO)
7	C	Ratjadone A, bound form	non-polymer		476.6	1	Chemie (RJA)
8	C	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
9	C	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
10		water	water		18.0	1340	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
Ala 205	Ser 205	CONFLICT

C: 414 - 1058 (UniProt: P30822)

PDB	External Database	Details
Cys 539	Thr 539	ENGINEERED MUTATION
Cys 1022	Tyr 1022	ENGINEERED MUTATION

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	158217.8
Non-Polymers*	Number of molecules	13
	Total formula weight	1654.1
All*	Total formula weight	159871.8

*Water molecules are not included.