3MDB

Crystal structure of the ternary complex of full length centaurin alpha-1, KIF13B FHA domain, and IP4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Kinesin-like protein KIF13B	polymer	124	13969.8	2	UniProt (Q9NQT8) Pfam (PF16183) Pfam (PF00498) In PDB	Homo sapiens (human)	Kinesin-like protein GAKIN
2	C, D	Arf-GAP with dual PH domain-containing protein 1	polymer	392	45695.7	2	UniProt (O75689) Pfam (PF01412) Pfam (PF00169) In PDB	Homo sapiens (human)	Centaurin-alpha-1, Cnt-a1, Putative MAPK-activating protein PM25
3	A, B, C, D	UNKNOWN ATOM OR ION	non-polymer			11	Chemie (UNX)
4	C, D	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	C	(2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate	non-polymer		826.5	1	Chemie (IP9)

Sequence modifications

A, B: 440 - 545 (UniProt: Q9NQT8)

PDB	External Database	Details
Met 422	-	expression tag
His 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag
His 428	-	expression tag
Ser 429	-	expression tag
Ser 430	-	expression tag
Gly 431	-	expression tag
Arg 432	-	expression tag
Glu 433	-	expression tag
Asn 434	-	expression tag
Leu 435	-	expression tag
Tyr 436	-	expression tag
Phe 437	-	expression tag
Gln 438	-	expression tag
Gly 439	-	expression tag

C, D: 1 - 374 (UniProt: O75689)

PDB	External Database	Details
Met -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Arg -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 241	Gly 241	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	119331.0
Non-Polymers*	Number of molecules	14
	Total formula weight	957.4
All*	Total formula weight	120288.3

*Water molecules are not included.