3LTX

crystal structure of the pacific oyster estrogen receptor ligand binding domain

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 148
  • Norm. En. per Res.: -4.4789
• 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	-80.9075	-175.7665	-406.196	-662.87	148	16	11	17170	11	41	40
A-C	0.0	1.8614	-31.326	-29.4646	37	0	1	1824	0	15	14
A-D	0.0	-0.9352	-50.9481	-51.8833	37	1	0	2207	0	12	10
B-C	-17.2154	-14.0949	-84.4588	-115.769	37	6	0	2963	0	5	6
C-D	-76.3996	-136.4468	-410.287	-623.1334	146	32	12	17591	8	39	42

Interface residues

• A-B: ALA366A, ALA366B, ALA367A, ALA367B, ALA393A, ALA393B, ALA414A, ALA414B, ALA432A, ALA432B, ALA443A, ALA443B, ALA449A, ALA449B, ARG350A, ARG350B, ARG396A, ARG396B, ARG397A, ARG397B, ARG428A, ARG428B, ARG441A, ARG441B, ARG446A, ARG446B, ASN375A, ASN375B, ASN392A, ASN392B, ASN406A, ASN406B, ASN426A, ASN426B, ASP413A, ASP413B, ASP417A, ASP417B, CYS318A, CYS318B, CYS319A, CYS319B, GLN248A, GLN248B, GLN364A, GLN364B, GLN371A, GLN371B, GLN374A, GLN374B, GLN408A, GLN408B, GLN409A, GLN409B, GLN442A, GLN442B, GLN452B, GLN473A, GLN473B, GLU322A, GLU322B, GLU360A, GLU360B, GLU363A, GLU363B, GLU370A, GLU370B, GLU394A, GLU394B, GLU445A, GLU445B, GLY336A, GLY336B, GLY337A, GLY337B, GLY444A, GLY444B, HIS429A, HIS429B, HIS439A, HIS439B, ILE252B, ILE361A, ILE361B, ILE415A, ILE415B, ILE440A, ILE440B, ILE448A, ILE448B, LEU315B, LEU385A, LEU385B, LEU390B, LEU411A, LEU411B, LEU412A, LEU412B, LEU434A, LEU434B, LEU435A, LEU435B, LEU436A, LEU436B, LEU437A, LEU437B, MET372B, MET373A, MET373B, MET388A, MET388B, MET407B, PHE362A, PHE362B, PHE405A, PHE405B, PRO431A, PRO431B, SER369A, SER369B, SER410A, SER410B, THR359A, THR359B, THR438A, THR438B, TRP353A, TRP353B, TYR401A, TYR401B, VAL365A, VAL365B, VAL368A, VAL368B, VAL389A, VAL389B, VAL391A, VAL391B, VAL395A, VAL395B, VAL416A, VAL416B, VAL427A, VAL427B, VAL430A, VAL430B, VAL433A, VAL433B
• A-C: ALA366A, ALA367A, ALA399C, ALA472C, ARG350A, ARG396C, ARG397C, ASP306C, ASP311C, ASP349A, GLN312C, GLN374A, GLU317C, GLU334A, GLU363A, GLU370A, GLY336A, GLY337A, HIS314C, HIS335A, HIS376A, ILE333A, LEU307C, LEU309C, LEU398C, LYS338A, MET373A, SER308C, SER310C, SER339A, SER351A, SER400C, THR305C, THR359A, TRP353A, TYR401C, VAL313C
• A-D: ARG350A, ARG350D, ASP349A, ASP349D, GLN272A, GLU357A, GLU363D, GLY271A, GLY336D, GLY337D, HIS270A, HIS278A, LEU279A, LEU279D, LYS276A, LYS276D, LYS338D, PRO273A, PRO273D, PRO274A, PRO274D, SER351A, SER351D, SER352A, SER352D, SER354A, SER354D, THR275A, THR275D, THR355A, THR355D, THR359A, THR359D, TRP353A, TRP353D, VAL356A, VAL356D
• B-C: ALA399B, ALA399C, ARG396B, ARG397B, ASN402B, ASN402C, ASN406B, ASN406C, ASP306C, ASP311B, ASP311C, GLN312C, GLN403B, GLN403C, GLU394B, GLY303C, HIS314B, ILE404B, ILE404C, LEU307C, LEU309C, LEU398B, LEU398C, MET407C, PHE405B, PHE405C, PRO302C, SER308B, SER308C, SER310B, SER310C, SER400B, SER400C, THR305C, TYR304C, TYR401B, TYR401C
• C-D: ALA366C, ALA366D, ALA367C, ALA367D, ALA393C, ALA393D, ALA414C, ALA414D, ALA432C, ALA432D, ALA443C, ALA443D, ALA449C, ALA449D, ARG350C, ARG350D, ARG396C, ARG396D, ARG397C, ARG397D, ARG428C, ARG428D, ARG441C, ARG441D, ARG446C, ARG446D, ARG453C, ARG453D, ASN375C, ASN375D, ASN392C, ASN392D, ASN406C, ASN406D, ASN426C, ASN426D, ASP413C, ASP413D, ASP417C, ASP417D, CYS318C, CYS318D, CYS319C, CYS319D, GLN364C, GLN364D, GLN371C, GLN371D, GLN374C, GLN374D, GLN408C, GLN408D, GLN409C, GLN409D, GLN420C, GLN420D, GLN442C, GLN442D, GLN452D, GLN473D, GLU322C, GLU322D, GLU360C, GLU360D, GLU363C, GLU363D, GLU370C, GLU370D, GLU394C, GLU394D, GLU445C, GLU445D, GLY336D, GLY337D, GLY444C, GLY444D, GLY447D, HIS429C, HIS429D, HIS439C, HIS439D, ILE361C, ILE361D, ILE415C, ILE415D, ILE440C, ILE440D, ILE448C, ILE448D, LEU315D, LEU385C, LEU385D, LEU411C, LEU411D, LEU412C, LEU412D, LEU434C, LEU434D, LEU435C, LEU435D, LEU436C, LEU436D, LEU437C, LEU437D, MET358D, MET373D, MET388C, MET388D, MET407C, MET407D, PHE362C, PHE362D, PHE405C, PHE405D, PRO431C, PRO431D, SER369C, SER369D, SER410C, SER410D, THR359C, THR359D, THR438C, THR438D, TRP353C, TRP353D, TYR401C, TYR401D, VAL365C, VAL365D, VAL368C, VAL368D, VAL389C, VAL389D, VAL391C, VAL391D, VAL395C, VAL395D, VAL416C, VAL416D, VAL427C, VAL427D, VAL430C, VAL430D, VAL433C, VAL433D