2D33

crystal structure of gamma-glutamylcysteine synthetase complexed with aluminum fluoride

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 115
  • Norm. En. per Res.: -2.2196
• 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	-30.0486	-30.654	-194.553	-255.2556	115	10	2	8547	4	45	57
A-C	0.0	0.0	-46.8733	-46.8733	52	0	2	3111	0	21	26
A-D	-17.8606	-8.6539	-90.9901	-117.5047	76	4	2	4306	2	12	12
B-C	-20.465	1.4076	-74.339	-93.3964	72	6	2	3820	2	10	14
C-D	-21.6213	-24.4081	-191.314	-237.3434	119	4	3	8838	6	51	55

Interface residues

• A-B: ALA170A, ALA172A, ALA261A, ALA266A, ALA318A, ALA438B, ALA449B, ALA466B, ALA468B, ALA470B, ALA505A, ARG310A, ARG321A, ARG450B, ARG453B, ARG84B, ARG88B, ASN254A, ASN442B, ASP171A, ASP255A, ASP317A, ASP343B, ASP434B, ASP441B, ASP444B, ASP457B, ASP506A, CYS439B, GLN161A, GLN265A, GLN345B, GLU174A, GLU219B, GLU222B, GLU258A, GLU296A, GLU313A, GLU344B, GLU435B, GLU469B, GLU477B, GLU478B, GLU481B, GLU508A, GLU515A, GLU77B, GLY169A, GLY262A, GLY312A, GLY322A, GLY323A, GLY459B, GLY462B, GLY464B, HIS517A, ILE267A, ILE340B, ILE451B, ILE456B, LEU197B, LEU256A, LEU263A, LEU319A, LEU320A, LEU436B, LEU445B, LEU452B, LEU474B, LEU475B, LEU80B, LYS173A, LYS220B, LYS264A, LYS268A, LYS431B, LYS465B, LYS516A, MET157A, MET455B, PHE198B, PHE337B, PHE440B, PHE447B, PHE467B, PRO101B, PRO229B, PRO336B, PRO339B, PRO443B, PRO479B, SER168A, SER223B, SER311A, SER314A, SER316A, SER338B, SER454B, THR221B, THR269A, THR446B, THR458B, THR463B, THR507A, THR81B, TRP513A, TYR227B, TYR230B, TYR257A, TYR259A, TYR471B, VAL260A, VAL342B, VAL432B, VAL437B
• A-C: ALA275A, ALA275C, ALA518A, ALA518C, ARG285A, ARG285C, ASN289A, ASN289C, ASN291A, ASN291C, ASP282A, ASP282C, GLN287A, GLN287C, GLU272A, GLU272C, GLU273A, GLU273C, GLU280A, GLU280C, GLU515A, GLU515C, GLY278A, GLY278C, GLY283A, GLY283C, ILE267A, ILE267C, ILE277A, ILE277C, ILE279A, ILE279C, ILE288A, LYS268A, LYS268C, LYS276A, LYS276C, LYS281A, LYS281C, LYS284C, PRO270A, PRO270C, SER271A, SER271C, SER290A, SER290C, THR269A, THR269C, TYR274A, TYR274C, VAL292A, VAL292C
• A-D: ALA371A, ALA398A, ALA398D, ARG189D, ARG374A, ARG379A, ARG379D, ARG411D, ASN248A, ASN376A, ASN378A, ASP238A, ASP408D, ASP4D, CYS372A, CYS395A, CYS395D, GLN399D, GLN404D, GLU272A, GLU273A, GLU364D, GLU369A, GLU369D, GLU383A, GLU396A, GLU396D, GLY250A, GLY388D, GLY392D, GLY394A, ILE2D, ILE381A, ILE393D, LEU216A, LEU239A, LEU249A, LEU370A, LEU382A, LEU389A, LEU389D, LEU391A, LEU391D, LEU402D, LYS244A, LYS276A, LYS386A, MET1D, MET365D, PHE190D, PHE400D, PRO363D, PRO387D, PRO3D, PRO401D, PRO403D, SER215A, SER237A, SER245A, SER247A, SER366A, SER367A, SER368A, THR373A, THR390A, THR390D, THR397A, THR397D, TRP377A, TYR188A, TYR230D, TYR241A, VAL375A, VAL375D, VAL380A, VAL405D
• B-C: ALA362B, ALA371C, ALA398B, ALA398C, ARG189B, ARG374C, ARG379B, ARG379C, ARG411B, ASN248C, ASN376C, ASN378C, ASP238C, ASP361B, ASP408B, ASP4B, CYS372C, CYS395B, CYS395C, GLN399B, GLN404B, GLU272C, GLU273C, GLU364B, GLU369B, GLU369C, GLU383C, GLU396B, GLU396C, GLY250C, GLY388B, GLY392B, GLY394C, ILE251C, ILE2B, ILE381C, ILE393B, LEU216C, LEU249C, LEU370C, LEU382C, LEU389C, LEU391C, LEU402B, LYS276C, LYS386C, LYS407B, MET1B, PHE190B, PHE400B, PRO217C, PRO363B, PRO387B, PRO3B, PRO401B, PRO403B, SER215C, SER237C, SER247C, SER366C, SER367C, SER368C, THR252C, THR373C, THR390B, THR390C, THR397B, THR397C, TRP377C, TYR230B, VAL375C, VAL405B
• C-D: ALA170C, ALA172C, ALA261C, ALA266C, ALA318C, ALA438D, ALA449D, ALA466D, ALA468D, ALA470D, ALA505C, ARG310C, ARG321C, ARG385D, ARG450D, ARG453D, ARG84D, ARG88D, ASN254C, ASN335D, ASN442D, ASP171C, ASP255C, ASP317C, ASP343D, ASP434D, ASP441D, ASP444D, ASP457D, ASP506C, ASP85D, CYS439D, GLN161C, GLN265C, GLN345D, GLU174C, GLU219D, GLU222D, GLU258C, GLU296C, GLU313C, GLU344D, GLU364C, GLU427D, GLU435D, GLU469D, GLU478D, GLU481D, GLU508C, GLU77D, GLY169C, GLY262C, GLY312C, GLY322C, GLY323C, GLY462D, GLY464D, HIS517C, ILE167C, ILE267C, ILE340D, ILE451D, ILE456D, LEU197D, LEU256C, LEU263C, LEU319C, LEU320C, LEU436D, LEU445D, LEU474D, LEU475D, LEU480D, LEU80D, LYS173C, LYS220D, LYS264C, LYS268C, LYS407D, LYS431D, LYS465D, LYS516C, MET225D, PHE198D, PHE337D, PHE440D, PHE447D, PHE467D, PRO101D, PRO229D, PRO336D, PRO339D, PRO387D, PRO443D, PRO479D, SER168C, SER223D, SER311C, SER314C, SER316C, SER338D, SER454D, THR124C, THR221D, THR269C, THR446D, THR458D, THR463D, THR507C, THR81D, TRP513C, TYR227D, TYR257C, TYR259C, TYR471D, VAL260C, VAL342D, VAL432D, VAL437D