7A5R

Complex of SARS-CoV-2 spike and CR3022 Fab (Non-Uniform Refinement)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, F (H, I)	CR3022 Fab Heavy Chain	polymer	256	27408.9	2		Homo sapiens
2	B, E (L, M)	CR3022 Fab Light Chain	polymer	240	26511.6	2		Homo sapiens
3	C, D (A, B)	Spike glycoprotein	polymer	1286	142271.9	2	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	S glycoprotein,E2,Peplomer protein
4	G, H (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)

Sequence modifications

A, B: 1 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Met -30	-	initiating methionine
Gly -29	-	expression tag
Ile -28	-	expression tag
Leu -27	-	expression tag
Pro -26	-	expression tag
Ser -25	-	expression tag
Pro -24	-	expression tag
Gly -23	-	expression tag
Met -22	-	expression tag
Pro -21	-	expression tag
Ala -20	-	expression tag
Leu -19	-	expression tag
Leu -18	-	expression tag
Ser -17	-	expression tag
Leu -16	-	expression tag
Val -15	-	expression tag
Ser -14	-	expression tag
Leu -13	-	expression tag
Leu -12	-	expression tag
Ser -11	-	expression tag
Val -10	-	expression tag
Leu -9	-	expression tag
Leu -8	-	expression tag
Met -7	-	expression tag
Gly -6	-	expression tag
Cys -5	-	expression tag
Val -4	-	expression tag
Ala -3	-	expression tag
Glu -2	-	expression tag
Thr -1	-	expression tag
Gly 0	-	expression tag
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Ser 1209	-	expression tag
Gly 1210	-	expression tag
Arg 1211	-	expression tag
Glu 1212	-	expression tag
Asn 1213	-	expression tag
Leu 1214	-	expression tag
Tyr 1215	-	expression tag
Phe 1216	-	expression tag
Gln 1217	-	expression tag
Gly 1218	-	expression tag
Gly 1219	-	expression tag
Gly 1220	-	expression tag
Gly 1221	-	expression tag
Ser 1222	-	expression tag
Gly 1223	-	expression tag
Tyr 1224	-	expression tag
Ile 1225	-	expression tag
Pro 1226	-	expression tag
Glu 1227	-	expression tag
Ala 1228	-	expression tag
Pro 1229	-	expression tag
Arg 1230	-	expression tag
Asp 1231	-	expression tag
Gly 1232	-	expression tag
Gln 1233	-	expression tag
Ala 1234	-	expression tag
Tyr 1235	-	expression tag
Val 1236	-	expression tag
Arg 1237	-	expression tag
Lys 1238	-	expression tag
Asp 1239	-	expression tag
Gly 1240	-	expression tag
Glu 1241	-	expression tag
Trp 1242	-	expression tag
Val 1243	-	expression tag
Leu 1244	-	expression tag
Leu 1245	-	expression tag
Ser 1246	-	expression tag
Thr 1247	-	expression tag
Phe 1248	-	expression tag
Leu 1249	-	expression tag
Gly 1250	-	expression tag
His 1251	-	expression tag
His 1252	-	expression tag
His 1253	-	expression tag
His 1254	-	expression tag
His 1255	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	392384.7
Branched	Number of molecules	2
	Total formula weight	848.8
All*	Total formula weight	393233.5

*Water molecules are not included.