9EMI

KOD-H4 DNA polymerase mutant in a ternary complex containing six HNA nucleotides and a non-hydrolyzable triphosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DNA polymerase	polymer	774	89976.5	1	UniProt (D0VWU9)	Thermococcus kodakarensis KOD1
2	B (P)	DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*CP*A*(XG4))-3')	polymer	13	3930.6	1		synthetic construct
3	C (T)	DNA (5'-D(*(6HA)P*(6HA)P*(6HC)P*(6HT)P*(6HG)P*(6HT)P*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3')	polymer	16	5014.3	1		synthetic construct
4	D, G, I (A, P, T)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
5	E, H (A, P)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	F (A)	2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine	non-polymer		506.2	1	Chemie (XG4)
7	J, K (A, T)	water	water		18.0	32	Chemie (HOH)

Sequence modifications

A: 1 - 774 (UniProt: D0VWU9)

PDB	External Database	Details
Gln 93	Val 93	conflict
Thr 114	Ile 114	conflict
Ala 141	Asp 141	conflict
Ala 143	Glu 143	conflict
His 147	Glu 147	conflict
Lys 383	Ser 383	conflict
Gly 429	Lys 429	conflict
Leu 445	Phe 445	conflict
Leu 485	Ala 485	conflict
Val 493	Tyr 493	conflict
His 496	Tyr 496	conflict
Met 497	Tyr 497	conflict
Phe 499	Tyr 499	conflict
Glu 500	Ala 500	conflict
Asn 501	Arg 501	conflict
Leu 521	Ile 521	conflict
Lys 584	Glu 584	conflict
Lys 664	Glu 664	conflict
Arg 726	Lys 726	conflict
Lys 735	Asn 735	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	98921.4
Non-Polymers*	Number of molecules	6
	Total formula weight	741.0
All*	Total formula weight	99662.4

*Water molecules are not included.