2ZBZ

Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cytochrome P450-SU1	polymer	412	44991.7	1	UniProt (P18326)	Streptomyces griseolus	P450-CVA1, CYP105A1
2	B (A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	C (A)	5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL	non-polymer		416.6	1	Chemie (VDX) PubChem (21158442) PubChem (2524) PubChem (176541417) PubChem (36083) PubChem (22811021) PubChem (177626446) PubChem (134070) PubChem (16759357) PubChem (25056915) PubChem (25144925) PubChem (44348524) PubChem (44445686) PubChem (25244372) PubChem (50990009) PubChem (53675483) PubChem (46780152) PubChem (53846420) PubChem (53846421) PubChem (53846422) PubChem (53846423) PubChem (53846424) PubChem (53846425) PubChem (53846429) PubChem (53846432) PubChem (53846434) PubChem (53846435) PubChem (56675037) PubChem (57069375) PubChem (57853710) PubChem (59072033) PubChem (53846427) PubChem (59824443) PubChem (59966627) PubChem (59966628) PubChem (59966641) PubChem (59966648) PubChem (59966656) PubChem (60120675) PubChem (57358782) PubChem (57824615) PubChem (5283736) PubChem (5283739) PubChem (5283740) PubChem (5283741) PubChem (5283742) PubChem (71296883) PubChem (5353466) PubChem (5371993) PubChem (71586635) PubChem (71699993) PubChem (73707427) PubChem (73946427) PubChem (6376279) PubChem (6434112) PubChem (6437079) PubChem (87060437) PubChem (88093945) PubChem (88093948) PubChem (88205154) PubChem (89082395) PubChem (89187208) PubChem (89735852) PubChem (90909703) PubChem (90942134) PubChem (9802028) PubChem (71434160) PubChem (71776638) PubChem (9823224) PubChem (9866622) PubChem (90997437) PubChem (91170688) PubChem (91172822) PubChem (91400094) PubChem (91442807) PubChem (91543944) PubChem (9909846) PubChem (9963516) PubChem (10093379) PubChem (10180181) PubChem (10180182) PubChem (91884755) PubChem (87065662) PubChem (10873438) PubChem (11112510) PubChem (11292963) PubChem (92974077) PubChem (12096000) PubChem (90690610) PubChem (13019045) PubChem (13019047) PubChem (13019052) PubChem (13019062) PubChem (13019065) PubChem (13019066) PubChem (13019068) PubChem (13019072) PubChem (13019077) PubChem (95566292) PubChem (91507903) PubChem (98043897) PubChem (98043899) PubChem (98116576) PubChem (98621118) PubChem (91884833) PubChem (5280453) PubChem (5283737) PubChem (101088599) PubChem (101099404) PubChem (95566291) PubChem (98043898) PubChem (98043896) PubChem (118719297) PubChem (6439628) PubChem (124554638) PubChem (9844833) PubChem (102426204) PubChem (102552746) PubChem (9953732) PubChem (117828099) PubChem (133655777) PubChem (118855589) PubChem (122451302) PubChem (12096001) PubChem (12095999) PubChem (123249588) PubChem (124220088) PubChem (124584674) PubChem (124604783) PubChem (13019064) PubChem (125032907) PubChem (129010338) PubChem (129627816) PubChem (129631814) PubChem (142186967) PubChem (142965989) PubChem (131954609) PubChem (134693124) PubChem (134694664) PubChem (139024314) PubChem (154790143) PubChem (154831899) PubChem (156599239) PubChem (162489847) PubChem (162904206) PubChem (163285334) PubChem (164576789) PubChem (166640002) PubChem (171114678) PubChem (171157379) PubChem (172966559) PubChem (173519260)
4	D (A)	water	water		18.0	319	Chemie (HOH)

Sequence modifications

A: 1 - 406 (UniProt: P18326)

PDB	External Database	Details
Ala 84	Arg 84	engineered mutation
Gln 308	His 308	SEE REMARK 999
His 407	-	expression tag
His 408	-	expression tag
His 409	-	expression tag
His 410	-	expression tag
His 411	-	expression tag
His 412	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44991.7
Non-Polymers*	Number of molecules	2
	Total formula weight	1033.1
All*	Total formula weight	46024.9

*Water molecules are not included.