5DH9

Crystal Structure of PKI NES Flip Mutant Peptide 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 (A)	GTP-binding nuclear protein Ran	polymer	237	26758.6	1	UniProt (P62826) Pfam (PF00071)	Homo sapiens (Human)	Androgen receptor-associated protein 24,GTPase Ran,Ras-like protein TC4,Ras-related nuclear protein
2	B (B)	Ran-specific GTPase-activating protein 1	polymer	143	16521.9	1	UniProt (P41920) Pfam (PF00638)	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Chromosome stability protein 20,Perinuclear array-localized protein,Ran-binding protein 1,RANBP1
3	C (C)	Exportin-1	polymer	1024	117458.8	1	UniProt (P30822) Pfam (PF03810) Pfam (PF08389) Pfam (PF18777) Pfam (PF18784) Pfam (PF18787) Pfam (PF08767)	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Chromosome region maintenance protein 1,Karyopherin-124
4	D (D)	Engineered Nuclear Export Signal Peptide (PKINES-Flip3 mutant)	polymer	20	2159.4	1	UniProt (by SIFTS) (P61925)	Homo sapiens
5	E (A)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	1	Chemie (GNP)
6	F (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
7	G, H, I (A, C)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
8	J, K, L (A, B, C)	water	water		18.0	253	Chemie (HOH)

Sequence modifications

A: 1 - 216 (UniProt: P62826)

PDB	External Database	Details
Met -20	-	initiating methionine
Glu -19	-	expression tag
Thr -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
Leu -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

B: 62 - 201 (UniProt: P41920)

PDB	External Database	Details
Gly 59	-	expression tag
Gly 60	-	expression tag
Ser 61	-	expression tag

C: 1 - 1058 (UniProt: P30822)

PDB	External Database	Details
Gly -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
-	Val 377	deletion
-	Gln 378	deletion
-	Arg 379	deletion
-	Leu 380	deletion
-	Pro 381	deletion
-	Ala 382	deletion
-	Thr 383	deletion
-	Glu 384	deletion
-	Met 385	deletion
-	Ser 386	deletion
-	Pro 387	deletion
-	Leu 388	deletion
-	Ile 389	deletion
-	Gln 390	deletion
-	Leu 391	deletion
-	Ser 392	deletion
-	Val 393	deletion
-	Gly 394	deletion
-	Ser 395	deletion
-	Gln 396	deletion
-	Ala 397	deletion
-	Ile 398	deletion
-	Ser 399	deletion
-	Thr 400	deletion
-	Gly 401	deletion
-	Ser 402	deletion
-	Gly 403	deletion
-	Ala 404	deletion
-	Leu 405	deletion
-	Asn 406	deletion
-	Pro 407	deletion
-	Glu 408	deletion
-	Tyr 409	deletion
-	Met 410	deletion
-	Lys 411	deletion
-	Arg 412	deletion
-	Phe 413	deletion
Asp 441	Val 441	engineered mutation
Gly 537	Asp 537	engineered mutation
Cys 539	Thr 539	engineered mutation
Glu 540	Val 540	engineered mutation
Gln 541	Lys 541	engineered mutation
Cys 1022	Tyr 1022	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	162898.6
Non-Polymers*	Number of molecules	5
	Total formula weight	822.8
All*	Total formula weight	163721.4

*Water molecules are not included.