4JTA

Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, P)	Voltage-gated potassium channel subunit beta-2	polymer	333	37353.1	2	UniProt (P62483) Pfam (PF00248)	Rattus norvegicus (brown rat rat rats)	K(+) channel subunit beta-2, Kv-beta-2
2	B, D (B, Q)	Potassium voltage-gated channel subfamily A member 2, Potassium voltage-gated channel subfamily B member 1	polymer	514	58821.7	2	UniProt (P63142) UniProt (P15387) Pfam (PF02214) Pfam (PF00520) Pfam (PF07885)	Rattus norvegicus (brown rat rat rats)	RAK, RBK2, RCK5, Voltage-gated potassium channel subunit Kv1.2, Delayed rectifier potassium channel 1, DRK1, Voltage-gated potassium channel subunit Kv2.1
3	E (Y)	Potassium channel toxin alpha-KTx 1.1	polymer	37	4310.0	1	UniProt (P13487) Pfam (PF00451)	Leiurus quinquestriatus hebraeus (Yellow scorpion)	ChTX-Lq1, ChTx-a, Charybdotoxin, ChTX
4	F, Z (A, P)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
5	AA, BA, CA, G, H... (Q, B)	POTASSIUM ION	non-polymer		39.1	6	Chemie (K)
6	DA, J, K, L, M... (Q, B)	(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate	non-polymer		749.0	17	Chemie (PGW)
7	EA, FA, GA, HA (A, B, P, Q)	water	water		18.0	318	Chemie (HOH)

Sequence modifications

A, P: 36 - 367 (UniProt: P62483)

PDB	External Database	Details
Met 35	-	expression tag

B, Q: 1 - 266 (UniProt: P63142)

PDB	External Database	Details
Met -18	-	expression tag
Ala -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
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Gly -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Pro -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ser 31	Cys 31	engineered mutation
Ser 32	Cys 32	engineered mutation
Gln 207	Asn 207	engineered mutation

B, Q: 267 - 299 (UniProt: P15387)
B, Q: 300 - 495 (UniProt: P63142)

PDB	External Database	Details
Ser 431	Cys 435	engineered mutation
Ser 478	Cys 482	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	196659.5
Non-Polymers*	Number of molecules	25
	Total formula weight	14454.5
All*	Total formula weight	211114.0

*Water molecules are not included.