3SMR

crystal structure of human wd repeat domain 5 with compound

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 49
  • Norm. En. per Res.: -2.4124
• 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	0.0	-34.5308	-34.5308	37	1	1	1897	0	12	12
A-C	-22.4673	-24.7769	-70.9632	-118.2074	49	4	0	2634	3	17	16
A-D	-23.1578	2.6476	-92.2877	-112.7978	53	3	0	3470	1	21	16
B-C	-14.1822	-1.8778	-87.1954	-103.2554	55	1	0	3401	1	21	17
C-D	-2.6004	-1.9677	-50.4866	-55.0547	45	1	1	2640	0	14	11

Interface residues

• A-B: ALA201B, ALA42A, ASN323A, ASP199B, ASP324A, CYS205B, GLN204B, GLN298A, GLU322A, GLY203B, GLY299A, GLY43A, HIS44A, ILE327A, LEU185B, LEU206B, LEU37A, LEU41A, LYS165B, LYS207B, LYS245B, LYS325A, LYS328A, LYS46A, LYS70A, SER184B, SER202B, SER244B, THR200B, THR208B, THR301A, THR326A, THR40A, THR45A, TRP198B, TRP72A, TYR243B
• A-C: ALA74A, ARG181C, ASN100A, ASN100C, ASN138C, ASN142C, ASN180C, ASN225C, ASN314A, ASN56A, ASN56C, ASP182C, ASP333A, ASP76A, ASP98C, GLN140C, GLU313A, GLU58A, GLU80A, GLY183C, GLY226C, GLY57A, GLY73A, GLY77A, HIS310A, ILE315A, LEU101C, LEU143C, LEU37A, LYS159C, LYS331A, LYS38A, LYS78A, LYS81A, PHE39A, PRO139C, PRO224C, PRO55C, SER117A, SER141C, SER184C, SER54A, SER96C, SER97C, SER99C, THR312A, TRP59A, TYR75A, VAL116A
• A-D: ALA74D, ARG181A, ASN100A, ASN138A, ASN142A, ASN180A, ASN225A, ASN314D, ASN56A, ASN56D, ASP182A, ASP333D, ASP76D, ASP98A, GLN140A, GLU313D, GLU58D, GLU80D, GLY183A, GLY57A, GLY57D, GLY73D, GLY77D, HIS310A, HIS310D, ILE315D, LEU101A, LEU143A, LEU37D, LYS159A, LYS331D, LYS38D, LYS78D, PHE39D, PHE53A, PHE79D, PRO139A, PRO224A, PRO311A, PRO311D, PRO55A, SER141A, SER184A, SER54A, SER96A, SER97A, SER99A, THR269D, THR312A, THR312D, TRP59D, TYR75D, VAL158A
• B-C: ALA74C, ARG181B, ASN100B, ASN138B, ASN142B, ASN180B, ASN225B, ASN314C, ASN56B, ASN56C, ASP182B, ASP333C, ASP76C, ASP98B, GLN140B, GLU313B, GLU313C, GLU58C, GLU80C, GLY183B, GLY226B, GLY57B, GLY57C, GLY77C, HIS310B, HIS310C, ILE315C, LEU101B, LEU143B, LEU37C, LYS159B, LYS331C, LYS38C, LYS78C, PHE39C, PHE79C, PRO139B, PRO224B, PRO311B, PRO55B, PRO55C, SER117C, SER141B, SER184B, SER54B, SER54C, SER96B, SER97B, SER99B, THR269B, THR312B, THR312C, TRP59C, TYR75C, VAL268B
• C-D: ALA201C, ALA42D, ARG196C, ASN281D, ASN323D, ASP199C, ASP242C, ASP324D, CYS205C, GLN204C, GLN298D, GLU322D, GLY203C, GLY246C, GLY299D, GLY43D, HIS300D, HIS44D, ILE327D, LEU185C, LEU206C, LEU209C, LEU37D, LEU41D, LYS165C, LYS207C, LYS245C, LYS247C, LYS325D, LYS328D, LYS46D, LYS70D, SER184C, SER202C, SER244C, THR200C, THR208C, THR301D, THR326D, THR40D, THR45D, TRP198C, TRP330D, TRP72D, TYR243C