3D6A

crystal structure of the 2h-phosphatase domain of sts-2 in complex with tungstate.

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 176
  • Norm. En. per Res.: -5.7649
• 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	-15.7068	-15.7068	25	0	0	822	0	1	6
A-C	-165.7101	-126.7387	-715.899	-1008.3478	180	30	17	26175	4	27	31
A-D	-49.4754	-81.1209	-200.253	-330.8493	122	15	0	10350	2	25	36
B-C	-4.4152	-4.2105	-58.8337	-67.4595	62	2	0	3085	0	15	10
B-D	-151.8711	-123.7589	-738.995	-1014.625	176	42	14	26714	5	26	32
C-D	0.0	0.0	-24.8911	-24.8911	30	3	0	1090	0	1	5

Interface residues

• A-B: ARG578A, ARG578B, ARG618A, ARG618B, ASN616A, ASN616B, ASN619A, ASN619B, GLN575A, HIS609B, ILE621A, LYS579A, LYS605B, PHE615A, SER613A, SER613B, SER622A, THR606B, THR608A, THR608B, TRP617A, TRP620A, TRP620B, VAL614A, VAL614B
• A-C: ALA424C, ALA427A, ALA427C, ALA430A, ALA430C, ALA554A, ALA554C, ALA611A, ALA611C, ARG365A, ARG365C, ARG369A, ARG369C, ARG391A, ARG391C, ARG398A, ARG398C, ARG425A, ARG425C, ARG560A, ARG560C, ARG568A, ARG568C, ARG578A, ARG578C, ARG618A, ARG618C, ASN395A, ASN395C, ASN601A, ASN601C, ASN612A, ASN612C, ASN616A, ASN616C, ASN619A, ASN619C, ASP393A, ASP393C, ASP433A, ASP433C, ASP556A, ASP556C, ASP572A, ASP572C, ASP598A, ASP598C, CYS419A, CYS419C, CYS586A, CYS586C, CYS588A, CYS588C, GLN372A, GLN372C, GLN423A, GLN423C, GLN575A, GLN575C, GLU368A, GLU368C, GLU429A, GLU429C, GLU459C, GLY367A, GLY367C, GLY420A, GLY420C, GLY428A, GLY428C, GLY584A, GLY584C, GLY610A, GLY610C, HIS366C, HIS609A, HIS609C, ILE364C, ILE421A, ILE421C, ILE580A, ILE580C, ILE621A, ILE621C, LEU394A, LEU394C, LEU426A, LEU426C, LEU431A, LEU431C, LEU432A, LEU432C, LEU555A, LEU555C, LEU563A, LEU563C, LEU565A, LEU565C, LEU576A, LEU576C, LEU583A, LEU583C, LEU599A, LEU599C, LEU607A, LEU607C, LYS461A, LYS461C, LYS579A, LYS579C, LYS605A, LYS605C, MET585A, MET585C, PHE374A, PHE374C, PHE396A, PHE396C, PHE422A, PHE422C, PHE573A, PHE573C, PHE587A, PHE587C, PHE615A, PHE615C, PRO392A, PRO392C, PRO397A, PRO397C, PRO581A, PRO581C, PRO602A, PRO602C, PRO603A, PRO603C, SER417A, SER417C, SER418A, SER418C, SER434A, SER434C, SER552A, SER552C, SER553A, SER553C, SER557A, SER557C, SER582A, SER582C, SER613A, SER613C, SER622A, SER622C, THR559A, THR559C, THR606A, THR606C, THR608A, THR608C, TRP617A, TRP617C, TRP620A, TRP620C, TYR390A, TYR390C, VAL363A, VAL363C, VAL370A, VAL370C, VAL373A, VAL373C, VAL577A, VAL577C, VAL600A, VAL600C, VAL604A, VAL604C, VAL614A, VAL614C
• A-D: ALA385A, ALA385D, ALA482A, ALA482D, ALA518D, ALA554D, ALA574A, ALA574D, ARG365A, ARG365D, ARG369A, ARG369D, ARG391A, ARG391D, ARG448A, ARG448D, ARG578A, ARG578D, ASN395A, ASN395D, ASN612A, ASN612D, ASN616A, ASN616D, ASN619A, ASN619D, ASP371D, ASP386A, ASP386D, ASP393A, ASP393D, ASP572A, ASP572D, CYS382A, CYS382D, CYS570A, CYS570D, GLN380A, GLN380D, GLN381A, GLN381D, GLN575A, GLN575D, GLU411A, GLU411D, GLU476A, GLU476D, GLU481A, GLU481D, GLU569A, GLU569D, GLY375A, GLY375D, GLY387A, GLY387D, GLY571A, GLY571D, HIS366A, HIS366D, HIS551A, HIS551D, LEU379A, LEU379D, LEU576A, LEU576D, LYS376A, LYS376D, LYS408A, LYS408D, LYS479A, LYS479D, LYS484A, LYS484D, LYS579A, LYS579D, MET478D, PHE374A, PHE374D, PHE396A, PHE396D, PHE573A, PHE573D, PHE615A, PHE615D, PRO392A, PRO392D, PRO517D, SER377A, SER377D, SER483A, SER483D, SER552A, SER552D, SER553A, SER553D, SER613A, SER613D, THR383A, THR383D, THR384A, THR384D, THR606A, THR608A, TRP378A, TRP378D, TRP477A, TRP477D, TRP480A, TRP480D, TRP620A, TRP620D, TYR390A, TYR390D, TYR521A, TYR521D, VAL370D, VAL373A, VAL373D, VAL577A, VAL577D, VAL614A, VAL614D
• B-C: ALA574B, ALA574C, ALA611B, ARG578B, ARG578C, ASN612B, ASN619C, ASP371B, ASP371C, ASP572B, ASP572C, CYS570B, CYS570C, GLN372B, GLN372C, GLN380B, GLN380C, GLN381B, GLN381C, GLN575B, GLN575C, GLU481B, GLU569B, GLU569C, GLY375B, GLY375C, GLY571B, GLY571C, LEU576B, LEU576C, LYS376B, LYS376C, LYS479B, LYS479C, LYS484C, LYS579B, LYS579C, PHE374B, PHE374C, PHE396C, PHE573C, PRO392B, PRO392C, SER377B, SER377C, SER613B, SER613C, THR606B, THR606C, TRP378B, TRP378C, TRP477C, TRP480B, TRP480C, TRP620B, TRP620C, VAL370B, VAL370C, VAL373B, VAL373C, VAL614B, VAL614C
• B-D: ALA424D, ALA427B, ALA427D, ALA430B, ALA430D, ALA554B, ALA554D, ALA574B, ALA611B, ALA611D, ARG365B, ARG365D, ARG369B, ARG369D, ARG391B, ARG391D, ARG398B, ARG398D, ARG425B, ARG425D, ARG560B, ARG560D, ARG568B, ARG568D, ARG578B, ARG578D, ARG618B, ARG618D, ASN395B, ASN395D, ASN601B, ASN601D, ASN612B, ASN612D, ASN616B, ASN616D, ASN619B, ASN619D, ASP393B, ASP393D, ASP433B, ASP433D, ASP556B, ASP556D, ASP572B, ASP572D, ASP598B, ASP598D, CYS419B, CYS419D, CYS558B, CYS586B, CYS586D, CYS588B, CYS588D, GLN372B, GLN372D, GLN423B, GLN423D, GLN575B, GLN575D, GLU368B, GLU368D, GLU429B, GLU429D, GLY367B, GLY367D, GLY420B, GLY420D, GLY428B, GLY428D, GLY584B, GLY584D, GLY610B, GLY610D, HIS366B, HIS609B, HIS609D, ILE364B, ILE421B, ILE421D, ILE580B, ILE580D, ILE621B, ILE621D, LEU394B, LEU394D, LEU426B, LEU426D, LEU431B, LEU431D, LEU432B, LEU432D, LEU555B, LEU555D, LEU563B, LEU563D, LEU565B, LEU565D, LEU576B, LEU576D, LEU583B, LEU583D, LEU599B, LEU599D, LEU607B, LEU607D, LYS579B, LYS579D, LYS605B, LYS605D, MET585B, MET585D, PHE374B, PHE374D, PHE396B, PHE396D, PHE422B, PHE422D, PHE573B, PHE587B, PHE587D, PHE615B, PHE615D, PRO392B, PRO392D, PRO397B, PRO397D, PRO581B, PRO581D, PRO602B, PRO602D, PRO603B, PRO603D, SER417B, SER417D, SER418B, SER418D, SER434B, SER434D, SER552B, SER552D, SER553B, SER557B, SER557D, SER582B, SER582D, SER613B, SER613D, SER622D, THR559B, THR559D, THR606B, THR606D, THR608B, THR608D, TRP617B, TRP617D, TRP620B, TRP620D, TYR390B, TYR390D, VAL363B, VAL363D, VAL370B, VAL370D, VAL373B, VAL373D, VAL577B, VAL577D, VAL600B, VAL600D, VAL604B, VAL604D, VAL614B, VAL614D
• C-D: ARG578C, ARG578D, ARG618C, ARG618D, ASN616C, ASN616D, ASN619C, ASN619D, GLN575D, GLY610D, HIS609C, HIS609D, ILE621D, LEU607C, LYS579C, LYS579D, LYS605C, PHE374C, PHE615C, PHE615D, SER613C, SER613D, THR606C, THR608C, THR608D, TRP617D, TRP620C, TRP620D, VAL614C, VAL614D