8ELJ

SARS-CoV-2 spike glycoprotein in complex with the ICO-hu23 neutralizing antibody Fab fragment

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	Spike glycoprotein	polymer	1256	139234.1	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) In PDB	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	S, U, W	ICO-hu23 antibody Fab heavy chain	polymer	234	25479.6	3		Homo sapiens (Human)
3	T, V, X	ICO-hu23 antibody Fab light chain	polymer	216	22802.1	3		Homo sapiens (Human)
4	E, F, G, H, J...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	12	In PDB GlyTouCan (G42666HT)
5	A, B, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	30	Chemie (NAG)

Sequence modifications

A, B, C: 13 - 1211 (UniProt: P0DTC2)

PDB	External Database	Details
Met -6	-	initiating methionine
Lys -5	-	expression tag
Trp -4	-	expression tag
Val -3	-	expression tag
Thr -2	-	expression tag
Phe -1	-	expression tag
Ile 0	-	expression tag
Ser 1	-	expression tag
Leu 2	-	expression tag
Leu 3	-	expression tag
Phe 4	-	expression tag
Leu 5	-	expression tag
Phe 6	-	expression tag
Ser 7	-	expression tag
Ser 8	-	expression tag
Ala 9	-	expression tag
Tyr 10	-	expression tag
Ser 11	-	expression tag
Ala 12	-	expression tag
Gly 682	Arg 682	conflict
Ser 683	Arg 683	conflict
Ser 685	Arg 685	conflict
Pro 986	Lys 986	conflict
Pro 987	Val 987	conflict
Gly 1212	-	expression tag
Ser 1213	-	expression tag
Gly 1214	-	expression tag
Tyr 1215	-	expression tag
Ile 1216	-	expression tag
Pro 1217	-	expression tag
Glu 1218	-	expression tag
Ala 1219	-	expression tag
Pro 1220	-	expression tag
Arg 1221	-	expression tag
Asp 1222	-	expression tag
Gly 1223	-	expression tag
Gln 1224	-	expression tag
Ala 1225	-	expression tag
Tyr 1226	-	expression tag
Val 1227	-	expression tag
Arg 1228	-	expression tag
Lys 1229	-	expression tag
Asp 1230	-	expression tag
Gly 1231	-	expression tag
Glu 1232	-	expression tag
Trp 1233	-	expression tag
Val 1234	-	expression tag
Leu 1235	-	expression tag
Leu 1236	-	expression tag
Ser 1237	-	expression tag
Thr 1238	-	expression tag
Phe 1239	-	expression tag
Leu 1240	-	expression tag
Gly 1241	-	expression tag
Ser 1242	-	expression tag
Gly 1243	-	expression tag
His 1244	-	expression tag
His 1245	-	expression tag
His 1246	-	expression tag
His 1247	-	expression tag
His 1248	-	expression tag
His 1249	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	562547.4
Branched	Number of molecules	12
	Total formula weight	5092.8
Non-Polymers*	Number of molecules	30
	Total formula weight	6636.2
All*	Total formula weight	574276.5

*Water molecules are not included.