5L8K

Aurora-A kinase domain in complex with vNAR-D01 (crystal form 2)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Aurora kinase A	polymer	285	32964.6	1	UniProt (O14965) Pfam (PF00069)	Homo sapiens (Human)	Aurora 2,Aurora/IPL1-related kinase 1,hARK1,Breast tumor-amplified kinase,Serine/threonine-protein kinase 15,Serine/threonine-protein kinase 6,Serine/threonine-protein kinase aurora-A
2	B (B)	New antigen receptor variable domain	polymer	117	12766.2	1	UniProt (Q8JJ25) Pfam (PF07686)	Orectolobus maculatus (spotted wobbegong)
3	C (A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
4	D, O (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	E, F, G, H, I... (A)	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
6	P, Q (A, B)	water	water		18.0	280	Chemie (HOH)

Sequence modifications

A: 122 - 403 (UniProt: O14965)

PDB	External Database	Details
Gly 119	-	expression tag
Ala 120	-	expression tag
Met 121	-	expression tag
Ala 290	Cys 290	engineered mutation
Ala 393	Cys 393	engineered mutation

B: 2 - 104 (UniProt: Q8JJ25)

PDB	External Database	Details
Met 1	-	initiating methionine
Ile 87	Tyr 86	conflict
Asp 88	Arg 87	conflict
Ser 89	Arg 88	engineered mutation
-	Ala 90	deletion
-	Phe 91	deletion
-	Asn 92	deletion
-	Thr 93	deletion
-	Gly 94	deletion
Trp 91	Val 95	conflict
Leu 92	Gly 96	conflict
Ser 93	Tyr 97	conflict
Arg 94	Lys 98	conflict
Gly 105	-	expression tag
Gly 106	-	expression tag
Ala 107	-	expression tag
Ala 108	-	expression tag
Ala 109	-	expression tag
Leu 110	-	expression tag
Glu 111	-	expression tag
His 112	-	expression tag
His 113	-	expression tag
His 114	-	expression tag
His 115	-	expression tag
His 116	-	expression tag
His 117	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	45730.8
Non-Polymers*	Number of molecules	13
	Total formula weight	1240.0
All*	Total formula weight	46970.8

*Water molecules are not included.