2PUT

the crystal structure of isomerase domain of glucosamine-6-phosphate synthase from candida albicans

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 38
  • Norm. En. per Res.: -5.243
• 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	-100.646	-101.0451	-333.093	-534.7841	186	14	1	15184	14	95	77
A-C	-26.693	-10.6506	-102.812	-140.1555	46	4	0	4314	2	21	30
A-D	-47.9376	-52.1696	-99.1284	-199.2357	38	7	1	2827	0	20	23
B-C	-48.6704	-48.5747	-101.236	-198.4811	40	4	1	2823	0	20	24
B-D	-28.2555	-11.4972	-115.313	-155.0657	51	6	0	4765	2	21	30
C-D	-75.3392	-76.4147	-312.001	-463.7548	180	13	1	14451	12	94	77

Interface residues

• A-B: ALA402A, ALA402B, ALA412B, ALA430A, ALA430B, ALA456A, ALA456B, ALA580B, ALA586A, ALA586B, ALA602A, ALA602B, ALA611B, ARG393A, ARG393B, ARG394A, ARG394B, ARG396A, ARG396B, ARG397A, ARG397B, ARG414A, ARG414B, ARG436A, ARG436B, ARG437A, ARG437B, ARG528A, ARG528B, ARG531A, ARG531B, ARG575A, ARG575B, ARG642A, ARG695A, ASP432A, ASP432B, ASP435A, ASP435B, ASP443A, ASP443B, ASP444A, ASP444B, ASP457A, ASP457B, ASP614B, ASP626A, ASP626B, ASP673A, CYS395A, CYS395B, CYS403A, CYS403B, CYS674A, GLN567B, GLN578A, GLN578B, GLU418A, GLU418B, GLU419A, GLU419B, GLU422A, GLU422B, GLU428A, GLU428B, GLU591A, GLU591B, GLU598A, GLU598B, GLU604A, GLU604B, GLY404A, GLY404B, GLY576A, GLY576B, GLY599A, GLY599B, GLY603A, GLY603B, GLY608B, HIS408A, HIS408B, HIS596A, HIS596B, HIS607B, ILE398A, ILE398B, ILE399A, ILE399B, ILE416A, ILE416B, ILE423A, ILE423B, ILE589A, ILE592A, ILE609B, ILE697A, LEU411A, LEU411B, LEU420A, LEU420B, LEU429A, LEU429B, LEU434A, LEU434B, LEU460A, LEU460B, LEU571A, LEU571B, LEU583B, LEU587A, LEU587B, LEU601A, LEU601B, LEU605A, LEU605B, LEU610B, LEU612B, LEU617A, LEU617B, LYS568A, LYS568B, LYS588A, LYS588B, LYS590A, LYS590B, LYS606A, LYS606B, LYS631A, LYS631B, MET595A, PHE417A, PHE417B, PHE433A, PHE433B, PHE441A, PHE441B, PHE579A, PHE579B, PHE629A, PHE629B, PRO424A, PRO424B, PRO439A, PRO439B, PRO630A, PRO630B, SER415A, SER415B, SER426A, SER426B, SER431A, SER431B, SER438A, SER438B, SER569A, SER569B, SER593A, SER597A, SER597B, SER627A, SER627B, THR405A, THR405B, THR413A, THR421A, THR421B, THR455A, THR455B, TYR407A, TYR407B, TYR577A, TYR577B, TYR594A, VAL425A, VAL425B, VAL427A, VAL427B, VAL440A, VAL440B, VAL501B, VAL600A, VAL600B, VAL613B, VAL632A, VAL632B
• A-C: ALA470A, ALA470C, ARG393A, ARG393C, ARG394A, ARG394C, ARG396A, ARG396C, ARG397A, ARG397C, ARG442A, ARG442C, ARG468A, ARG468C, ASP443A, ASP443C, ASP444A, ASP444C, CYS395A, CYS395C, GLY469A, GLY469C, HIS488A, HIS488C, ILE392A, ILE392C, ILE399A, ILE399C, LEU471A, LEU471C, PHE441A, PHE441C, PRO439A, PRO439C, SER390A, SER390C, THR391A, THR391C, THR445A, THR445C, THR472A, THR472C, TRP388A, TRP388C, VAL440A, VAL440C
• A-D: ARG393A, ARG393D, ARG394A, ARG394D, ARG396A, ARG396D, ARG397A, ARG397D, ARG528A, ARG528D, ASN523A, ASN523D, ASP443D, ASP524A, ASP524D, CYS395A, CYS395D, GLU422A, GLU422D, HIS532A, ILE423A, ILE423D, ILE526A, ILE526D, LYS529A, LYS529D, PRO424A, PRO424D, SER390A, SER390D, SER522A, SER522D, SER525A, SER525D, SER527A, SER527D, THR421A, THR421D
• B-C: ARG393B, ARG393C, ARG394B, ARG394C, ARG396B, ARG396C, ARG397B, ARG397C, ARG528B, ARG528C, ASN523B, ASN523C, ASP443C, ASP524B, ASP524C, CYS395B, CYS395C, GLU422B, GLU422C, HIS532B, HIS532C, ILE423B, ILE423C, ILE526B, ILE526C, LYS529B, LYS529C, PRO424B, PRO424C, SER390B, SER390C, SER522B, SER522C, SER525B, SER525C, SER527B, SER527C, THR421B, THR421C, VAL379C
• B-D: ALA470B, ALA470D, ARG393B, ARG393D, ARG394B, ARG394D, ARG396B, ARG396D, ARG397B, ARG397D, ARG442B, ARG442D, ARG468B, ARG468D, ASP443B, ASP443D, ASP444B, ASP444D, CYS395B, CYS395D, CYS446D, CYS465D, GLU467B, GLU467D, GLY469B, GLY469D, HIS488B, HIS488D, ILE392B, ILE392D, ILE399B, ILE399D, LEU466D, LEU471B, LEU471D, PHE441B, PHE441D, PRO439B, PRO439D, SER390B, SER390D, THR391B, THR391D, THR445B, THR445D, THR472B, THR472D, TRP388B, TRP388D, VAL440B, VAL440D
• C-D: ALA402C, ALA402D, ALA412C, ALA412D, ALA430C, ALA430D, ALA456C, ALA456D, ALA580C, ALA580D, ALA586C, ALA586D, ALA602C, ALA602D, ALA611C, ARG393C, ARG393D, ARG394C, ARG394D, ARG396C, ARG396D, ARG397C, ARG397D, ARG414C, ARG414D, ARG436C, ARG436D, ARG437C, ARG437D, ARG528C, ARG528D, ARG575C, ARG575D, ARG695D, ASP432C, ASP432D, ASP435C, ASP435D, ASP443C, ASP443D, ASP444C, ASP444D, ASP457C, ASP457D, ASP614C, ASP626C, ASP626D, CYS395C, CYS395D, CYS403C, CYS403D, GLN578C, GLN578D, GLU418C, GLU418D, GLU419C, GLU419D, GLU422C, GLU422D, GLU428C, GLU428D, GLU591C, GLU591D, GLU598C, GLU598D, GLU604C, GLU604D, GLY404C, GLY404D, GLY576C, GLY576D, GLY599C, GLY599D, GLY603C, GLY603D, GLY608C, HIS408C, HIS408D, HIS596C, HIS596D, HIS607C, ILE392C, ILE398C, ILE398D, ILE399C, ILE399D, ILE416C, ILE416D, ILE423C, ILE423D, ILE589D, ILE592D, ILE609C, ILE697D, LEU411C, LEU411D, LEU420C, LEU420D, LEU429C, LEU429D, LEU434C, LEU434D, LEU460C, LEU460D, LEU571C, LEU571D, LEU583C, LEU583D, LEU587C, LEU587D, LEU601C, LEU601D, LEU605C, LEU605D, LEU610C, LEU612C, LEU617C, LEU617D, LYS568C, LYS568D, LYS588D, LYS590C, LYS590D, LYS606C, LYS631C, LYS631D, MET595D, PHE417C, PHE417D, PHE433C, PHE433D, PHE441C, PHE441D, PHE579C, PHE579D, PHE629C, PHE629D, PRO424C, PRO424D, PRO439C, PRO439D, PRO630C, PRO630D, SER415C, SER415D, SER426C, SER426D, SER431C, SER431D, SER438C, SER438D, SER569C, SER569D, SER593D, SER597C, SER597D, SER627C, SER627D, THR405C, THR405D, THR421C, THR421D, THR455D, TYR407C, TYR407D, TYR577C, TYR577D, TYR594D, VAL425C, VAL425D, VAL427C, VAL427D, VAL440C, VAL440D, VAL501D, VAL600C, VAL600D, VAL613C, VAL632C, VAL632D