6NB6

SARS-CoV complex with human neutralizing S230 antibody Fab fragment (state 1)

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 (A, B, C)	Spike glycoprotein	polymer	1263	139816.0	3	UniProt (P59594) Pfam (PF16451) Pfam (PF09408) Pfam (PF01601)	SARS coronavirus (SARS-CoV)	S glycoprotein,E2,Peplomer protein
2	D, E (H, I)	S230 heavy chain	polymer	127	14314.9	2		Homo sapiens (Human)
3	F, G (L, M)	S230 light chain	polymer	112	12329.7	2		Homo sapiens (Human)
4	AA, CA, FA, GA, H... (a, c, f, g, D...)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	27	In PDB GlyTouCan (G15407YE)
5	BA, EA, M, O, P... (b, e, K, O, P...)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	9	In PDB GlyTouCan (G22768VO)
6	U (U)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
7	DA (d)	alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G22573RC)
8	AB, BB, CB, DB, EB... (B, C, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	17	Chemie (NAG)

Sequence modifications

A, B, C: 14 - 1193 (UniProt: P59594)

PDB	External Database	Details
Met -18	-	initiating methionine
Gly -17	-	expression tag
Ile -16	-	expression tag
Leu -15	-	expression tag
Pro -14	-	expression tag
Ser -13	-	expression tag
Pro -12	-	expression tag
Gly -11	-	expression tag
Met -10	-	expression tag
Pro -9	-	expression tag
Ala -8	-	expression tag
Leu -7	-	expression tag
Leu -6	-	expression tag
Ser -5	-	expression tag
Leu -4	-	expression tag
Val -3	-	expression tag
Ser -2	-	expression tag
Leu -1	-	expression tag
Leu 0	-	expression tag
Ser 1	-	expression tag
Val 2	-	expression tag
Leu 3	-	expression tag
Leu 4	-	expression tag
Met 5	-	expression tag
Gly 6	-	expression tag
Cys 7	-	expression tag
Val 8	-	expression tag
Ala 9	-	expression tag
Glu 10	-	expression tag
Thr 11	-	expression tag
Gly 12	-	expression tag
Thr 13	-	expression tag
Asp 77	Gly 77	conflict
Thr 244	Ile 244	conflict
Pro 968	Lys 968	conflict
Pro 969	Val 969	conflict
Gly 1194	-	expression tag
Ser 1195	-	expression tag
Gly 1196	-	expression tag
Arg 1197	-	expression tag
Glu 1198	-	expression tag
Asn 1199	-	expression tag
Leu 1200	-	expression tag
Tyr 1201	-	expression tag
Phe 1202	-	expression tag
Gln 1203	-	expression tag
Gly 1204	-	expression tag
Gly 1205	-	expression tag
Gly 1206	-	expression tag
Gly 1207	-	expression tag
Ser 1208	-	expression tag
Gly 1209	-	expression tag
Tyr 1210	-	expression tag
Ile 1211	-	expression tag
Pro 1212	-	expression tag
Glu 1213	-	expression tag
Ala 1214	-	expression tag
Pro 1215	-	expression tag
Arg 1216	-	expression tag
Asp 1217	-	expression tag
Gly 1218	-	expression tag
Gln 1219	-	expression tag
Ala 1220	-	expression tag
Tyr 1221	-	expression tag
Val 1222	-	expression tag
Arg 1223	-	expression tag
Lys 1224	-	expression tag
Asp 1225	-	expression tag
Gly 1226	-	expression tag
Glu 1227	-	expression tag
Trp 1228	-	expression tag
Val 1229	-	expression tag
Leu 1230	-	expression tag
Leu 1231	-	expression tag
Ser 1232	-	expression tag
Thr 1233	-	expression tag
Phe 1234	-	expression tag
Leu 1235	-	expression tag
Gly 1236	-	expression tag
His 1237	-	expression tag
His 1238	-	expression tag
His 1239	-	expression tag
His 1240	-	expression tag
His 1241	-	expression tag
His 1242	-	expression tag
His 1243	-	expression tag
His 1244	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	7
	Total formula weight	472737.0
Branched	Number of molecules	38
	Total formula weight	25207.1
Non-Polymers*	Number of molecules	17
	Total formula weight	3760.5
All*	Total formula weight	501704.7

*Water molecules are not included.