6RMG

Structure of PTCH1 bound to a modified Hedgehog ligand ShhN-C24II

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Protein patched homolog 1,GFP-like fluorescent chromoprotein FP506, related	polymer	1471	163846.7	1	UniProt (Q13635) UniProt (U6GSR1) Pfam (PF12349) Pfam (PF01353)	Homo sapiens (Human)	PTC1
2	B (B)	Sonic hedgehog protein	polymer	285	32397.5	1	UniProt (Q15465) Pfam (PF01085)	Homo sapiens (Human)	SHH,HHG-1,Shh unprocessed N-terminal signaling and C-terminal autoprocessing domains,ShhNC
3	C (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	D, E, F, G, H (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
5	I, J, K, L, M... (A)	CHOLESTEROL HEMISUCCINATE	non-polymer		486.7	11	Chemie (Y01)
6	T (B)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)

Sequence modifications

A: 1 - 1189 (UniProt: Q13635)

PDB	External Database	Details
Ala 645	Tyr 645	conflict
Ala 1189	Gly 1189	linker
Ala 1190	-	linker
Ala 1191	-	linker
Leu 1192	-	linker
Glu 1193	-	linker
Val 1194	-	linker
Leu 1195	-	linker
Phe 1196	-	linker
Gln 1197	-	linker
Gly 1198	-	linker
Pro 1199	-	linker
Gly 1200	-	linker
Gly 1201	-	linker

A: 1202 - 1441 (UniProt: U6GSR1)

PDB	External Database	Details
Gln 1270	Met 70	conflict
Ala 1440	Trp 240	conflict
Ser 1442	-	expression tag
Ala 1443	-	expression tag
Trp 1444	-	expression tag
Ser 1445	-	expression tag
His 1446	-	expression tag
Pro 1447	-	expression tag
Gln 1448	-	expression tag
Phe 1449	-	expression tag
Glu 1450	-	expression tag
Lys 1451	-	expression tag
Gly 1452	-	expression tag
Gly 1453	-	expression tag
Gly 1454	-	expression tag
Ser 1455	-	expression tag
Gly 1456	-	expression tag
Gly 1457	-	expression tag
Gly 1458	-	expression tag
Ser 1459	-	expression tag
Gly 1460	-	expression tag
Gly 1461	-	expression tag
Ser 1462	-	expression tag
Ala 1463	-	expression tag
Trp 1464	-	expression tag
Ser 1465	-	expression tag
His 1466	-	expression tag
Pro 1467	-	expression tag
Gln 1468	-	expression tag
Phe 1469	-	expression tag
Glu 1470	-	expression tag
Lys 1471	-	expression tag

B: 21 - 197 (UniProt: Q15465)

PDB	External Database	Details
Met -87	-	initiating methionine
Lys -86	-	expression tag
Lys -85	-	expression tag
His -84	-	expression tag
His -83	-	expression tag
His -82	-	expression tag
His -81	-	expression tag
His -80	-	expression tag
His -79	-	expression tag
Gly -78	-	expression tag
Ser -77	-	expression tag
Gly -76	-	expression tag
Met -75	-	expression tag
Ser -74	-	expression tag
Asp -73	-	expression tag
Ser -72	-	expression tag
Glu -71	-	expression tag
Val -70	-	expression tag
Asn -69	-	expression tag
Gln -68	-	expression tag
Glu -67	-	expression tag
Ala -66	-	expression tag
Lys -65	-	expression tag
Pro -64	-	expression tag
Glu -63	-	expression tag
Val -62	-	expression tag
Lys -61	-	expression tag
Pro -60	-	expression tag
Glu -59	-	expression tag
Val -58	-	expression tag
Lys -57	-	expression tag
Pro -56	-	expression tag
Glu -55	-	expression tag
Thr -54	-	expression tag
His -53	-	expression tag
Ile -52	-	expression tag
Asn -51	-	expression tag
Leu -50	-	expression tag
Lys -49	-	expression tag
Val -48	-	expression tag
Ser -47	-	expression tag
Asp -46	-	expression tag
Gly -45	-	expression tag
Ser -44	-	expression tag
Ser -43	-	expression tag
Glu -42	-	expression tag
Ile -41	-	expression tag
Phe -40	-	expression tag
Phe -39	-	expression tag
Lys -38	-	expression tag
Ile -37	-	expression tag
Lys -36	-	expression tag
Lys -35	-	expression tag
Thr -34	-	expression tag
Thr -33	-	expression tag
Pro -32	-	expression tag
Leu -31	-	expression tag
Arg -30	-	expression tag
Arg -29	-	expression tag
Leu -28	-	expression tag
Met -27	-	expression tag
Glu -26	-	expression tag
Ala -25	-	expression tag
Phe -24	-	expression tag
Ala -23	-	expression tag
Lys -22	-	expression tag
Arg -21	-	expression tag
Gln -20	-	expression tag
Gly -19	-	expression tag
Lys -18	-	expression tag
Glu -17	-	expression tag
Met -16	-	expression tag
Asp -15	-	expression tag
Ser -14	-	expression tag
Leu -13	-	expression tag
Arg -12	-	expression tag
Phe -11	-	expression tag
Leu -10	-	expression tag
Tyr -9	-	expression tag
Asp -8	-	expression tag
Gly -7	-	expression tag
Ile -6	-	expression tag
Arg -5	-	expression tag
Ile -4	-	expression tag
Gln -3	-	expression tag
Ala -2	-	expression tag
Asp -1	-	expression tag
Gln 0	-	expression tag
Thr 1	-	expression tag
Pro 2	-	expression tag
Glu 3	-	expression tag
Asp 4	-	expression tag
Leu 5	-	expression tag
Asp 6	-	expression tag
Met 7	-	expression tag
Glu 8	-	expression tag
Asp 9	-	expression tag
Asn 10	-	expression tag
Asp 11	-	expression tag
Ile 12	-	expression tag
Ile 13	-	expression tag
Glu 14	-	expression tag
Ala 15	-	expression tag
His 16	-	expression tag
Arg 17	-	expression tag
Glu 18	-	expression tag
Gln 19	-	expression tag
Ile 20	-	expression tag
Gly 22	Leu 22	conflict
Ile 23	Ala 23	conflict
Ile 24	Cys 24	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	196244.2
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	17
	Total formula weight	6525.4
All*	Total formula weight	203194.1

*Water molecules are not included.