2YJQ

Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	CEL44C	polymer	524	57915.3	2	UniProt (Q1A2D0) Pfam (PF12891)	PAENIBACILLUS POLYMYXA	XYLOGLUCANASE
2	C, D (C, D)	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900005) GlyTouCan (G84824ZO)		beta-cellobiose
3	E, O (A, B)	TETRAHYDROOXAZINE	non-polymer		149.1	2	Chemie (OXZ)
4	F, P (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	G, H, I, J, N... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
6	K, S (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
7	L, V (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
8	M (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
9	X, Y (A, B)	water	water		18.0	439	Chemie (HOH)

Sequence modifications

A, B: 1 - 524 (UniProt: Q1A2D0)

PDB	External Database	Details
Phe 17	Ser 52	conflict
Asp 19	Glu 54	conflict
His 68	Gln 103	engineered mutation
Val 92	Thr 127	engineered mutation
Ala 118	Lys 153	engineered mutation
Ala 129	Lys 164	engineered mutation
Ala 144	Thr 179	conflict
Tyr 156	Arg 191	engineered mutation
Pro 200	Gly 235	engineered mutation
Val 228	Ile 263	conflict
Val 272	Ala 307	conflict
Phe 331	Asn 366	engineered mutation
Ser 358	Glu 393	engineered mutation
Ala 403	Pro 438	conflict
Ile 473	Ser 508	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	115830.6
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	19
	Total formula weight	1412.3
All*	Total formula weight	117927.5

*Water molecules are not included.