2Y05

crystal structure of human leukotriene b4 12-hydroxydehydrogenase in complex with nadp and raloxifene

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 69
  • Norm. En. per Res.: -2.0781
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	0.0	9.9888	-36.8519	-26.8631	46	3	1	2456	0	17	20
A-C	0.0	0.0	-25.8614	-25.8614	38	1	0	1793	0	19	17
A-D	-9.101	-16.0688	-118.219	-143.3888	69	10	2	5794	1	12	19
B-C	-5.7141	-7.2967	-69.2244	-82.2353	60	4	0	3639	3	25	27
B-D	0.0	8.248	-15.6086	-7.3606	25	0	0	966	0	14	21
C-D	-3.9571	0.2914	-31.7187	-35.3843	33	0	2	1703	0	9	10

Interface residues

• A-B: ALA53A, ALA54A, ALA69B, ALA78B, ARG274A, ARG56A, ASN34B, ASN76B, ASP101A, ASP61A, GLN276A, GLU73B, GLY82B, HIS12A, ILE84B, LEU105B, LEU106B, LEU115B, LEU57A, LEU79B, LYS100A, LYS104B, LYS55A, LYS58A, LYS70B, LYS75B, LYS81B, MET50A, MET64A, PRO31B, PRO80B, PRO89A, SER2B, SER88A, THR107B, THR62A, THR83B, TRP109B, TRP275A, TYR273A, TYR49A, VAL271A, VAL52A, VAL71B, VAL77B, VAL85B
• A-C: ALA279C, ALA78C, ARG274C, ARG280C, ASP101C, GLN276C, GLN281C, GLU103C, GLU135C, GLU23A, GLU28A, GLU307A, GLY277C, GLY60A, GLY99C, ILE96A, LEU102C, LEU24A, LEU29A, LEU79C, LYS100C, LYS104C, LYS10A, LYS25A, LYS33A, LYS5A, MET3A, PHE22A, PRO30A, PRO31A, SER20A, SER27A, SER2A, THR26A, TRP275C, TYR273C, VAL271C, VAL77C
• A-D: ALA311A, ALA311D, ARG247A, ARG247D, ARG51A, ARG51D, ASN19A, ASN19D, ASN246A, ASN246D, ASP21A, ASP21D, ASP320A, ASP320D, GLU221A, GLU221D, GLY15A, GLY15D, GLY249A, GLY249D, GLY315A, GLY315D, GLY319A, HIS12A, HIS12D, LEU251A, LEU251D, LEU317A, LEU317D, LYS10A, LYS10D, LYS11A, LYS11D, LYS194A, LYS194D, LYS318A, LYS318D, MET314A, MET314D, PHE13A, PHE13D, PHE22A, PHE22D, PRO17A, PRO17D, PRO250A, PRO250D, PRO252A, PRO252D, PRO253A, PRO253D, PRO310A, PRO310D, SER175A, SER20A, SER20D, SER243A, SER243D, THR18A, THR18D, THR244A, THR244D, THR248A, THR248D, TRP7A, TYR16A, TYR16D, VAL14A, VAL14D
• B-C: ALA283C, ALA329B, ALA41B, ASN308B, ASP111B, ASP278C, ASP286C, GLU108C, GLU293C, GLU300B, GLU304B, GLU307B, GLU40B, GLY141C, GLY166C, GLY305B, GLY82B, HIS94B, ILE113B, ILE161C, ILE302B, ILE303B, ILE326B, ILE84B, LEU106C, LEU115B, LEU117B, LEU134C, LEU164C, LEU287C, LEU288C, LEU292C, LEU42B, LYS140C, LYS163C, LYS165C, LYS282C, LYS285C, LYS289C, LYS295C, LYS299B, LYS328B, LYS70B, LYS81B, PHE306B, PHE43B, PRO110B, PRO110C, PRO114B, SER116B, THR107C, THR112B, TRP109C, TRP290C, TYR130C, TYR298B, TYR301B, VAL139C, VAL71B, VAL72B
• B-D: ALA283B, ASN192D, ASP176D, ASP278B, ASP286B, GLN281B, GLU108B, GLU197D, GLU201D, LEU106B, LEU284B, LEU288B, LEU292B, LYS194D, LYS205D, LYS282B, LYS285B, LYS289B, LYS295B, PRO110B, SER198D, THR107B, THR195D, THR202D, VAL196D
• C-D: ALA311D, ALA312D, ALA329D, ALA78C, ASN308D, ASN34C, ASN76C, ASP320D, GLU304D, GLU307D, GLU36C, GLU73C, GLY305D, GLY315D, GLY35C, ILE302D, ILE303D, LEU24D, LEU32C, LYS328D, LYS33C, LYS5D, LYS75C, LYS81C, MET309D, MET314D, PHE306D, PRO310D, PRO80C, SER74C, TRP7D, TYR301D, VAL77C