4I2Y

Crystal Structure of the genetically encoded calcium indicator RGECO1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	RGECO1	polymer	421	47530.2	2	UniProt (Q6LDG3) UniProt (Q9U6Y8) UniProt (P62161) Pfam (PF01353) Pfam (PF13499) UniProt (by SIFTS) (P0DP29) In PDB	Gallus gallus (chicken)	myosin light chain kinase, green fluorescent protein, calmodulin chimera
2	A, B	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
3		water	water		18.0	99	Chemie (HOH)

Sequence modifications

A, B: 40 - 58 (UniProt: Q6LDG3)

PDB	External Database	Details
Met 31	-	expression tag
His 32	-	expression tag
His 33	-	expression tag
His 34	-	expression tag
His 35	-	expression tag
His 36	-	expression tag
His 37	-	expression tag
Ser 38	-	expression tag
Ser 39	-	expression tag
Asn 44	Gln 41	engineered mutation
Ala 46	Thr 43	engineered mutation

A, B: 62 - 136 (UniProt: Q9U6Y8)

PDB	External Database	Details
Pro 59	-	linker
Val 60	-	linker
Val 61	-	linker
Ser 62	Thr 147	engineered mutation
Met 65	Leu 150	engineered mutation
Glu 68	Arg 153	engineered mutation
Ala 71	Val 156	engineered mutation
Ser 74	Gly 159	engineered mutation
Lys 77	His 162	engineered mutation
Gly 79	Ala 164	engineered mutation
Arg 81	Lys 166	engineered mutation
Ala 89	Leu 174	engineered mutation
Ala 90	Val 175	engineered mutation
Val 92	Phe 177	engineered mutation
Thr 94	Ser 179	engineered mutation
Thr 95	Ile 180	engineered mutation
Lys 97	Met 182	engineered mutation
Ala 107	Tyr 192	engineered mutation
Ile 109	Tyr 194	engineered mutation
Ile 112	Ser 197	engineered mutation
Val 117	Thr 202	engineered mutation
Cys 129	Tyr 214	engineered mutation
Ala 132	Thr 217	engineered mutation

A, B: 165 - 302 (UniProt: Q9U6Y8)

PDB	External Database	Details
Ser 137	-	linker
Thr 138	-	linker
Gly 139	-	linker
Gly 140	-	linker
Met 141	-	linker
Asp 142	-	linker
Glu 143	-	linker
Leu 144	-	linker
Tyr 145	-	linker
Lys 146	-	linker
Gly 147	-	linker
Gly 148	-	linker
Thr 149	-	linker
Gly 150	-	linker
Gly 151	-	linker
Ser 152	-	linker
Leu 153	-	linker
Val 154	-	linker
Ser 155	-	linker
Lys 156	-	linker
Gly 157	-	linker
Glu 158	-	linker
Glu 159	-	linker
Asp 160	-	linker
Asn 161	-	linker
Met 162	-	linker
Ala 163	-	linker
Ile 164	-	linker
His 174	Arg 17	engineered mutation
Ser 178	Thr 21	engineered mutation
Ala 197	Gly 40	engineered mutation
Phe 198	His 41	engineered mutation
Gln 199	Asn 42	engineered mutation
Ala 201	Val 44	engineered mutation
Nrq 224	Gln 66	chromophore
Nrq 224	Tyr 67	chromophore
Nrq 224	Gly 68	chromophore
Ala 228	Val 71	engineered mutation
Ile 230	Val 73	engineered mutation
Phe 240	Lys 83	engineered mutation
Arg 249	Lys 92	engineered mutation
Ile 261	Val 104	engineered mutation
Ile 262	Val 105	engineered mutation
His 263	Thr 106	engineered mutation
Asn 265	Thr 108	engineered mutation
Val 274	Cys 117	engineered mutation
Leu 281	Phe 124	engineered mutation
Arg 282	Ile 125	engineered mutation
Thr 284	Val 127	engineered mutation
Pro 288	Ser 131	engineered mutation

A, B: 305 - 451 (UniProt: P62161)

PDB	External Database	Details
Thr 303	-	linker
Arg 304	-	linker
Asp 363	Asn 61	engineered mutation
Phe 366	Ile 64	engineered mutation
Asn 380	Lys 78	engineered mutation
Gly 404	Ser 102	engineered mutation
Asp 414	Asn 112	engineered mutation
Val 430	Glu 128	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95060.4
Non-Polymers*	Number of molecules	8
	Total formula weight	320.6
All*	Total formula weight	95381.1

*Water molecules are not included.