2D2I

crystal structure of nadp-dependent glyceraldehyde-3- phosphate dehydrogenase from synechococcus sp. complexed with nadp+

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: Q-R
  • Int. Res.: 179
  • Norm. En. per Res.: -4.6337
• Hub Node: O(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	-112.0971	-121.3953	-506.06	-739.5524	173	36	12	23162	20	37	24
O-P	-139.2808	-133.4444	-509.58	-782.3052	178	23	12	22966	22	37	22
O-Q	-6.6206	5.3006	-77.2833	-78.6033	50	2	2	3813	0	15	11
O-R	-33.9806	-37.2273	-333.975	-405.183	120	16	14	14587	1	37	43
P-Q	-36.1091	-45.7499	-349.34	-431.1989	123	26	14	15402	1	37	43
P-R	-11.5418	7.9006	-90.2686	-93.9098	56	2	2	4138	0	19	11
Q-R	-161.6952	-153.0297	-514.708	-829.4329	179	40	12	23405	21	38	23

Interface residues

• A-B: ALA201A, ALA201B, ALA203A, ALA203B, ALA204A, ALA204B, ALA205A, ALA205B, ALA216A, ALA216B, ALA234A, ALA234B, ARG199A, ARG199B, ARG200A, ARG200B, ARG202A, ARG202B, ARG236A, ARG236B, ARG289A, ARG289B, ASN207A, ASN207B, ASN231A, ASN231B, ASN241A, ASN241B, ASP192A, ASP192B, ASP197A, ASP197B, ASP246A, ASP246B, ASP280A, ASP280B, ASP287A, ASP287B, ASP298A, ASP298B, ASP306A, ASP306B, ASP308A, ASP308B, GLN188A, GLN188B, GLN250A, GLN250B, GLY176A, GLY176B, GLY228A, GLY228B, GLY232A, GLY232B, GLY307A, GLY307B, HIS182A, HIS182B, ILE174A, ILE174B, ILE208A, ILE208B, ILE233A, ILE233B, ILE313A, ILE313B, LEU198A, LEU198B, LEU230A, LEU230B, LEU235A, LEU235B, LEU247A, LEU247B, LEU281A, LEU281B, LEU283A, LEU283B, LEU301A, LEU301B, LEU303A, LEU303B, LEU309A, LEU309B, LYS175A, LYS175B, LYS217A, LYS217B, LYS227A, LYS227B, LYS229A, LYS229B, LYS311A, LYS311B, MET178A, MET178B, MET305A, MET305B, PHE288A, PHE288B, PRO210A, PRO210B, PRO238A, PRO238B, PRO240A, PRO240B, PRO282A, PRO282B, SER183A, SER183B, SER243A, SER243B, SER279A, SER279B, SER285A, SER285B, SER286A, SER286B, SER299A, SER299B, SER300A, SER300B, THR177A, THR177B, THR179A, THR179B, THR180A, THR180B, THR181A, THR181B, THR211A, THR211B, THR212A, THR212B, THR213A, THR213B, THR239A, THR239B, THR257A, THR302A, THR302B, TRP315A, TRP315B, TYR184A, TYR184B, TYR316B, VAL206A, VAL206B, VAL209A, VAL209B, VAL237A, VAL237B, VAL242A, VAL242B, VAL244A, VAL244B, VAL245A, VAL245B, VAL248A, VAL248B, VAL249A, VAL249B, VAL251A, VAL251B, VAL284A, VAL284B, VAL297B, VAL304A, VAL304B, VAL310A, VAL310B, VAL312A, VAL312B
• O-P: ALA201O, ALA201P, ALA203O, ALA203P, ALA204O, ALA204P, ALA205O, ALA205P, ALA216O, ALA216P, ALA234O, ALA234P, ALA314O, ALA314P, ARG199O, ARG199P, ARG200O, ARG200P, ARG202O, ARG202P, ARG236O, ARG236P, ARG289O, ARG289P, ASN207O, ASN207P, ASN231O, ASN231P, ASN241O, ASN241P, ASP192O, ASP192P, ASP197O, ASP197P, ASP246O, ASP246P, ASP280O, ASP280P, ASP287O, ASP287P, ASP298O, ASP298P, ASP306O, ASP306P, ASP308O, ASP308P, GLN188O, GLN188P, GLN250O, GLN250P, GLY176O, GLY176P, GLY228O, GLY228P, GLY232O, GLY232P, GLY307O, GLY307P, HIS182O, HIS182P, ILE173O, ILE173P, ILE174O, ILE174P, ILE208O, ILE208P, ILE233O, ILE233P, ILE313O, ILE313P, LEU198O, LEU198P, LEU226O, LEU226P, LEU230O, LEU230P, LEU235O, LEU235P, LEU247O, LEU247P, LEU281O, LEU281P, LEU283O, LEU283P, LEU301O, LEU301P, LEU303O, LEU303P, LEU309O, LEU309P, LYS175O, LYS175P, LYS217O, LYS217P, LYS227O, LYS227P, LYS229O, LYS229P, LYS311O, LYS311P, MET178O, MET178P, MET305O, MET305P, PHE288O, PHE288P, PRO210O, PRO210P, PRO238O, PRO238P, PRO240O, PRO240P, PRO254O, PRO254P, PRO282O, PRO282P, SER183O, SER183P, SER243O, SER243P, SER279O, SER279P, SER285O, SER285P, SER286O, SER286P, SER299O, SER299P, SER300O, SER300P, THR177O, THR177P, THR179O, THR179P, THR180O, THR180P, THR181O, THR181P, THR211O, THR211P, THR212O, THR212P, THR213O, THR239O, THR239P, THR302O, THR302P, TRP315O, TRP315P, TYR184O, TYR184P, TYR316O, VAL206O, VAL206P, VAL209O, VAL209P, VAL237O, VAL237P, VAL242O, VAL242P, VAL244O, VAL244P, VAL245O, VAL245P, VAL248O, VAL248P, VAL249O, VAL249P, VAL251O, VAL251P, VAL284O, VAL284P, VAL304O, VAL304P, VAL310O, VAL310P, VAL312O, VAL312P
• O-Q: ALA205O, ALA205Q, ARG289O, ARG289Q, ARG41O, ARG41Q, ARG55O, ARG55Q, ASP280O, ASP287O, ASP287Q, ASP50O, ASP50Q, GLU48O, GLU48Q, GLY54O, GLY54Q, HIS45O, HIS45Q, LEU281O, LEU281Q, LEU283O, LEU283Q, LEU53O, LEU53Q, LYS277O, LYS277Q, PHE288O, PHE288Q, PRO240O, PRO240Q, PRO282O, PRO282Q, SER279O, SER279Q, SER285O, SER285Q, SER286O, SER286Q, SER51O, SER51Q, TYR49O, TYR49Q, TYR62Q, VAL206O, VAL206Q, VAL284O, VAL284Q, VAL52O, VAL52Q
• O-R: ALA193O, ALA193R, ALA201O, ALA201R, ALA203O, ALA203R, ALA204O, ALA204R, ALA205O, ALA205R, ALA43O, ALA43R, ALA44R, ARG12O, ARG12R, ARG15O, ARG15R, ARG189O, ARG189R, ARG196O, ARG196R, ARG199O, ARG199R, ARG19O, ARG19R, ARG200O, ARG200R, ARG202O, ARG202R, ARG236O, ARG236R, ARG41O, ARG41R, ARG55O, ARG55R, ARG80O, ARG80R, ASN16O, ASN16R, ASN207O, ASN207R, ASN241O, ASN241R, ASN318O, ASN318R, ASN36O, ASN36R, ASP187O, ASP187R, ASP192O, ASP192R, ASP197O, ASP197R, ASP39O, ASP39R, ASP50O, ASP50R, GLN188O, GLN188R, GLU319O, GLU319R, GLU48O, GLU48R, GLY11O, GLY11R, GLY54O, GLY54R, HIS195O, HIS195R, HIS45O, HIS45R, ILE190O, ILE190R, LEU186O, LEU186R, LEU191O, LEU191R, LEU198O, LEU198R, LEU46O, LEU46R, LEU47O, LEU47R, LEU53O, LEU53R, PHE10O, PHE10R, PRO238O, PRO238R, PRO240O, PRO240R, SER183O, SER183R, SER194O, SER194R, SER38O, SER38R, SER51O, SER51R, THR185O, THR185R, THR239O, THR239R, THR37O, THR37R, THR42O, THR42R, TYR184O, TYR184R, TYR49O, TYR49R, TYR62O, TYR62R, VAL206O, VAL206R, VAL209O, VAL237O, VAL237R, VAL52O, VAL52R
• P-Q: ALA193P, ALA193Q, ALA201P, ALA201Q, ALA203P, ALA203Q, ALA204P, ALA204Q, ALA205P, ALA205Q, ALA43P, ALA43Q, ALA44P, ALA44Q, ARG12P, ARG12Q, ARG15P, ARG15Q, ARG189P, ARG189Q, ARG196P, ARG196Q, ARG199P, ARG199Q, ARG19P, ARG19Q, ARG200P, ARG200Q, ARG202P, ARG202Q, ARG236P, ARG236Q, ARG41P, ARG41Q, ARG55P, ARG55Q, ARG80P, ARG80Q, ASN16P, ASN16Q, ASN207P, ASN207Q, ASN241P, ASN241Q, ASN318P, ASN318Q, ASN36P, ASN36Q, ASP187P, ASP187Q, ASP192P, ASP192Q, ASP197P, ASP197Q, ASP39P, ASP39Q, ASP50P, ASP50Q, GLN188P, GLN188Q, GLU319P, GLU319Q, GLU48P, GLU48Q, GLY11P, GLY11Q, GLY54P, GLY54Q, HIS182P, HIS182Q, HIS195P, HIS195Q, HIS45P, HIS45Q, ILE190P, ILE190Q, ILE208Q, LEU186P, LEU186Q, LEU191P, LEU191Q, LEU198P, LEU198Q, LEU46P, LEU46Q, LEU53P, LEU53Q, PHE10P, PHE10Q, PRO238P, PRO238Q, PRO240P, PRO240Q, SER183P, SER183Q, SER194P, SER194Q, SER38P, SER38Q, SER51P, SER51Q, THR185P, THR185Q, THR239P, THR239Q, THR37P, THR37Q, THR42P, THR42Q, TYR184P, TYR184Q, TYR49P, TYR49Q, TYR62P, TYR62Q, VAL206P, VAL206Q, VAL209P, VAL209Q, VAL237P, VAL237Q, VAL52P, VAL52Q
• P-R: ALA205P, ALA205R, ARG19R, ARG289P, ARG289R, ARG41P, ARG41R, ARG55P, ARG55R, ASP280P, ASP280R, ASP287P, ASP287R, ASP50P, ASP50R, GLU48P, GLU48R, GLY54P, GLY54R, HIS45P, HIS45R, LEU281P, LEU281R, LEU283P, LEU283R, LEU46P, LEU53P, LEU53R, LYS277P, LYS277R, PHE288P, PHE288R, PRO240P, PRO240R, PRO282P, PRO282R, SER279R, SER285P, SER285R, SER286P, SER286R, SER300P, SER51P, SER51R, THR291P, THR291R, TYR49P, TYR49R, TYR62P, TYR62R, VAL206P, VAL206R, VAL284P, VAL284R, VAL52P, VAL52R
• Q-R: ALA201Q, ALA201R, ALA203Q, ALA203R, ALA204Q, ALA204R, ALA205Q, ALA205R, ALA216Q, ALA216R, ALA234Q, ALA234R, ALA314R, ARG199Q, ARG199R, ARG200Q, ARG200R, ARG202Q, ARG202R, ARG236Q, ARG236R, ARG289Q, ARG289R, ASN207Q, ASN207R, ASN231Q, ASN231R, ASN241Q, ASN241R, ASP192Q, ASP192R, ASP197Q, ASP197R, ASP246Q, ASP246R, ASP280Q, ASP280R, ASP287Q, ASP287R, ASP298Q, ASP298R, ASP306Q, ASP306R, ASP308Q, ASP308R, GLN188Q, GLN188R, GLN250Q, GLN250R, GLY176Q, GLY176R, GLY228Q, GLY228R, GLY232Q, GLY232R, GLY307Q, GLY307R, HIS182Q, HIS182R, ILE173Q, ILE173R, ILE174Q, ILE174R, ILE208Q, ILE208R, ILE233Q, ILE233R, ILE313Q, ILE313R, LEU198Q, LEU198R, LEU226Q, LEU226R, LEU230Q, LEU230R, LEU235Q, LEU235R, LEU247Q, LEU247R, LEU281Q, LEU281R, LEU283Q, LEU283R, LEU301Q, LEU301R, LEU303Q, LEU303R, LEU309Q, LEU309R, LYS175Q, LYS175R, LYS217Q, LYS217R, LYS227Q, LYS227R, LYS229Q, LYS229R, LYS311Q, LYS311R, MET178Q, MET178R, MET305Q, MET305R, PHE288Q, PHE288R, PRO210Q, PRO210R, PRO238Q, PRO238R, PRO240Q, PRO240R, PRO254Q, PRO254R, PRO282Q, PRO282R, SER183Q, SER183R, SER243Q, SER243R, SER279Q, SER279R, SER285Q, SER285R, SER286Q, SER286R, SER299Q, SER299R, SER300Q, SER300R, THR177Q, THR177R, THR179Q, THR179R, THR180Q, THR180R, THR181Q, THR181R, THR211Q, THR211R, THR212Q, THR212R, THR213Q, THR239Q, THR239R, THR257R, THR302Q, THR302R, TRP315Q, TRP315R, TYR184Q, TYR184R, TYR316Q, TYR316R, VAL206Q, VAL206R, VAL209Q, VAL209R, VAL237Q, VAL237R, VAL242Q, VAL242R, VAL244Q, VAL244R, VAL245Q, VAL245R, VAL248Q, VAL248R, VAL249Q, VAL249R, VAL251Q, VAL251R, VAL284Q, VAL284R, VAL304Q, VAL304R, VAL310Q, VAL310R, VAL312Q, VAL312R