2DBR

crystal structure of glyoxylate reductase (ph0597) from pyrococcus horikoshii ot3, complexed with nadp (p1)

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 267
  • Norm. En. per Res.: -5.5775
• Hub Node: A(4)

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	-163.251	-94.1739	-1159.5	-1416.9249	262	39	30	44447	10	125	94
A-C	-53.4428	41.0745	-156.759	-169.1273	66	11	0	5917	6	54	61
A-D	0.0	0.0	-0.0906	-0.0906	2	0	0	26	0	1	2
A-F	0.0	26.4715	-63.5107	-37.0392	55	7	1	3313	3	60	58
C-D	-197.9992	-105.7444	-1185.46	-1489.2036	267	55	35	45019	11	127	96
C-E	-16.584	-64.5623	-53.714	-134.8603	60	10	0	3128	7	51	59
C-F	0.0	0.0	-3.2115	-3.2115	7	0	0	181	0	7	3
D-F	0.0	1.55	-5.6924	-4.1424	15	3	0	466	1	12	7
E-F	-174.9957	-108.989	-1170.61	-1454.5947	265	71	27	45073	11	125	94

Interface residues

• A-B: ALA103A, ALA103B, ALA105A, ALA105B, ALA108A, ALA108B, ALA110A, ALA110B, ALA114A, ALA114B, ALA116A, ALA116B, ALA137A, ALA137B, ALA164A, ALA164B, ALA166A, ALA166B, ALA169A, ALA169B, ALA260A, ALA260B, ALA262A, ALA262B, ALA292A, ALA292B, ALA296A, ALA296B, ALA301A, ALA301B, ALA75A, ALA75B, ARG117A, ARG117B, ARG124A, ARG124B, ARG127A, ARG127B, ARG134A, ARG134B, ARG168A, ARG168B, ARG241B, ARG297A, ARG297B, ARG9A, ARG9B, ASN173A, ASN173B, ASN274A, ASN274B, ASN282A, ASN282B, ASP102A, ASP102B, ASP106A, ASP106B, ASP123A, ASP123B, ASP147A, ASP147B, ASP265A, ASP265B, ASP281A, ASP281B, ASP30A, ASP30B, GLU10A, GLU10B, GLU130A, GLU130B, GLU13A, GLU13B, GLU269A, GLU269B, GLU270A, GLU270B, GLU275A, GLU275B, GLU276A, GLU276B, GLU298A, GLU298B, GLU31A, GLU31B, GLU33A, GLU33B, GLU55A, GLU55B, GLY122A, GLY122B, GLY129A, GLY129B, GLY135A, GLY135B, GLY145A, GLY145B, GLY150A, GLY150B, GLY171A, GLY171B, GLY263A, GLY263B, GLY290A, GLY290B, GLY295A, GLY295B, GLY29A, GLY29B, HIS118A, HIS118B, HIS139A, HIS139B, HIS288A, HIS288B, ILE11A, ILE11B, ILE165A, ILE165B, ILE16A, ILE16B, ILE235A, ILE235B, ILE239A, ILE289A, ILE289B, ILE7A, ILE7B, LEU100A, LEU100B, LEU107A, LEU107B, LEU111A, LEU111B, LEU112A, LEU112B, LEU113A, LEU113B, LEU144A, LEU144B, LEU264A, LEU264B, LEU277A, LEU277B, LEU280A, LEU280B, LEU285A, LEU285B, LEU53A, LEU53B, LYS121A, LYS121B, LYS132A, LYS132B, LYS133A, LYS133B, LYS141A, LYS141B, LYS151A, LYS151B, LYS167A, LYS167B, LYS170A, LYS170B, LYS279A, LYS279B, LYS32A, LYS32B, MET174A, MET174B, MET300A, MET300B, MET52A, MET52B, PHE109A, PHE109B, PHE125A, PHE125B, PHE143A, PHE143B, PHE172A, PHE172B, PHE207A, PHE267A, PHE267B, PHE278A, PHE278B, PHE294A, PHE294B, PRO12A, PRO12B, PRO140A, PRO140B, PRO271A, PRO271B, PRO287A, PRO287B, SER128A, SER128B, SER291A, SER291B, SER293A, SER293B, SER54A, SER54B, THR101A, THR104A, THR104B, THR115A, THR115B, THR233A, THR233B, THR286A, THR286B, THR51A, THR51B, THR8A, THR8B, THR96B, TRP131A, TRP131B, TRP138A, TRP138B, TRP142A, TRP142B, TRP28A, TRP28B, TYR146A, TYR146B, TYR149A, TYR149B, TYR272A, TYR272B, TYR273A, TYR273B, TYR74A, TYR74B, VAL119A, VAL119B, VAL120A, VAL120B, VAL126A, VAL126B, VAL136A, VAL136B, VAL148A, VAL148B, VAL14A, VAL266A, VAL266B, VAL27A, VAL27B, VAL283A, VAL283B, VAL284A, VAL284B, VAL50A, VAL50B, VAL76A, VAL76B, VAL99A, VAL99B
• A-C: ARG181A, ARG183A, ARG189A, ARG216A, ARG323A, ASN322A, ASN64C, ASP21C, ASP30C, GLU10C, GLU13C, GLU185A, GLU186A, GLU188A, GLU190A, GLU20C, GLU217A, GLU22C, GLU24C, GLU26C, GLU31C, GLU324A, GLU37C, GLU45C, GLU63C, GLY15C, GLY29C, ILE11C, ILE16C, ILE326A, ILE34C, ILE38C, ILE7C, ILE83A, LEU19C, LEU40C, LYS17C, LYS184A, LYS196A, LYS2C, LYS327A, LYS41C, LYS42C, LYS44C, LYS4C, MET18C, MET1C, PHE195A, PHE23C, PHE6C, PRO12C, PRO197A, PRO35C, PRO3C, SER180A, THR182A, THR8C, TRP28C, TYR178A, TYR179A, TYR78A, VAL187A, VAL25C, VAL27C, VAL321A, VAL5C
• A-D: ARG183A, LYS141D
• A-F: ARG183F, ARG203F, ARG216A, ARG226A, ARG226F, ARG36A, ARG56A, ASN223A, ASN223F, ASN248A, ASN80A, ASP200F, ASP246A, ASP58A, ASP79A, ASP82A, GLU199F, GLU217A, GLU224A, GLU224F, GLU225A, GLU225F, GLU256F, GLU268A, GLU60A, GLU63A, GLU84A, GLU85A, GLY257F, HIS220A, ILE81A, LEU198F, LEU202F, LEU214A, LEU221A, LEU229F, LYS196F, LYS228A, LYS228F, LYS231F, LYS232F, LYS243A, LYS252F, LYS255F, LYS59A, LYS88A, MET230F, PHE195F, PRO197F, THR215A, THR218A, TRP258F, TYR179F, TYR219A, VAL61A
• C-D: ALA103C, ALA103D, ALA105C, ALA105D, ALA108C, ALA108D, ALA110C, ALA110D, ALA114C, ALA114D, ALA116C, ALA116D, ALA137C, ALA137D, ALA164C, ALA164D, ALA166C, ALA166D, ALA169C, ALA169D, ALA260C, ALA260D, ALA262C, ALA262D, ALA292C, ALA292D, ALA296C, ALA296D, ALA301C, ALA301D, ALA75C, ALA75D, ARG117C, ARG117D, ARG124C, ARG124D, ARG127C, ARG127D, ARG134C, ARG134D, ARG168C, ARG168D, ARG241C, ARG241D, ARG297C, ARG297D, ARG9C, ARG9D, ASN173C, ASN173D, ASN274C, ASN274D, ASN282C, ASN282D, ASP102C, ASP102D, ASP106C, ASP106D, ASP123C, ASP123D, ASP147C, ASP147D, ASP265C, ASP265D, ASP281C, ASP281D, ASP30C, ASP30D, GLN163D, GLU10C, GLU10D, GLU130C, GLU130D, GLU13C, GLU13D, GLU268D, GLU269C, GLU269D, GLU270C, GLU270D, GLU275C, GLU275D, GLU276C, GLU276D, GLU298C, GLU298D, GLU31C, GLU31D, GLU33C, GLU33D, GLU55C, GLU55D, GLY122C, GLY122D, GLY129C, GLY129D, GLY135C, GLY135D, GLY145C, GLY145D, GLY150C, GLY150D, GLY171C, GLY171D, GLY263C, GLY263D, GLY290C, GLY290D, GLY295C, GLY295D, GLY29C, GLY29D, HIS118C, HIS118D, HIS139C, HIS139D, HIS288C, HIS288D, ILE11C, ILE11D, ILE165C, ILE165D, ILE16C, ILE16D, ILE235C, ILE235D, ILE289C, ILE289D, ILE7C, ILE7D, LEU100C, LEU100D, LEU107C, LEU107D, LEU111C, LEU111D, LEU112C, LEU112D, LEU113C, LEU113D, LEU144C, LEU144D, LEU264C, LEU264D, LEU277C, LEU277D, LEU280C, LEU280D, LEU285C, LEU285D, LEU53C, LEU53D, LYS121C, LYS121D, LYS132C, LYS132D, LYS133C, LYS133D, LYS141C, LYS141D, LYS151C, LYS151D, LYS167C, LYS167D, LYS170C, LYS170D, LYS279C, LYS279D, LYS32C, LYS32D, MET174C, MET174D, MET300C, MET300D, MET52C, MET52D, PHE109C, PHE109D, PHE125C, PHE125D, PHE143C, PHE143D, PHE172C, PHE172D, PHE207C, PHE207D, PHE267C, PHE267D, PHE278C, PHE278D, PHE294C, PHE294D, PRO12C, PRO12D, PRO140C, PRO140D, PRO271C, PRO271D, PRO287C, PRO287D, SER128C, SER128D, SER291C, SER291D, SER293C, SER293D, SER54C, SER54D, THR101C, THR101D, THR104C, THR104D, THR115C, THR115D, THR233C, THR233D, THR286C, THR286D, THR51C, THR51D, THR8C, THR8D, THR96D, TRP131C, TRP131D, TRP138C, TRP138D, TRP142C, TRP142D, TRP28C, TRP28D, TYR146C, TYR146D, TYR149C, TYR149D, TYR272C, TYR272D, TYR273C, TYR273D, TYR74C, TYR74D, VAL119C, VAL119D, VAL120C, VAL120D, VAL126C, VAL126D, VAL136C, VAL136D, VAL148C, VAL148D, VAL14C, VAL14D, VAL266C, VAL266D, VAL27C, VAL27D, VAL283C, VAL283D, VAL284C, VAL284D, VAL50C, VAL50D, VAL76C, VAL76D, VAL99C, VAL99D
• C-E: ALA249C, ALA305E, ALA310E, ARG160E, ARG216C, ARG226C, ARG313E, ARG323E, ASN223C, ASN248C, ASN307E, ASP21E, ASP246C, ASP98E, GLN163E, GLU186E, GLU190E, GLU217C, GLU224C, GLU225C, GLU22E, GLU268C, GLU275C, GLU276C, GLU302E, GLU315E, GLY314E, HIS220C, ILE222C, ILE309E, ILE316E, ILE326E, LEU191E, LEU198C, LEU214C, LEU221C, LEU229C, LEU303E, LEU320E, LYS167E, LYS228C, LYS243C, LYS252C, LYS255C, LYS279C, LYS306E, LYS312E, MET18E, MET1E, PRO317E, PRO318E, PRO331E, PRO97E, THR215C, THR218C, THR319E, TRP258C, TYR219C, VAL187E, VAL99E
• C-F: ASN173F, GLU204F, GLU275C, GLY150F, LYS32C, TYR149F, TYR273C
• D-F: ARG134D, ARG175F, ASN192F, GLU130D, GLU194F, GLY129D, GLY150F, ILE176F, LEU177F, LYS132D, LYS133D, LYS151F, LYS196F, MET174F, THR152F
• E-F: ALA103E, ALA103F, ALA105E, ALA105F, ALA108E, ALA108F, ALA110E, ALA110F, ALA114E, ALA114F, ALA116E, ALA116F, ALA137E, ALA137F, ALA164E, ALA164F, ALA166E, ALA166F, ALA169E, ALA169F, ALA260E, ALA260F, ALA262E, ALA262F, ALA292E, ALA292F, ALA296E, ALA296F, ALA301E, ALA301F, ALA75E, ALA75F, ARG117E, ARG117F, ARG124E, ARG124F, ARG127E, ARG127F, ARG134E, ARG134F, ARG168E, ARG168F, ARG241E, ARG241F, ARG297E, ARG297F, ARG9E, ARG9F, ASN173E, ASN173F, ASN274E, ASN274F, ASN282E, ASN282F, ASP102E, ASP102F, ASP106E, ASP106F, ASP123E, ASP123F, ASP147E, ASP147F, ASP265E, ASP265F, ASP281E, ASP281F, ASP30E, ASP30F, GLU10E, GLU10F, GLU130E, GLU130F, GLU13E, GLU13F, GLU268E, GLU269E, GLU269F, GLU270E, GLU270F, GLU275E, GLU275F, GLU276E, GLU298E, GLU298F, GLU31E, GLU31F, GLU33E, GLU33F, GLU55E, GLU55F, GLY122E, GLY122F, GLY129E, GLY129F, GLY135E, GLY135F, GLY145E, GLY145F, GLY150E, GLY150F, GLY171E, GLY171F, GLY263E, GLY263F, GLY290E, GLY290F, GLY295E, GLY295F, GLY29E, GLY29F, HIS118E, HIS118F, HIS139E, HIS139F, HIS288E, HIS288F, ILE11E, ILE11F, ILE165E, ILE165F, ILE16E, ILE16F, ILE235E, ILE235F, ILE239F, ILE289E, ILE289F, ILE34E, ILE7E, ILE7F, LEU100E, LEU100F, LEU107E, LEU107F, LEU111E, LEU111F, LEU112E, LEU112F, LEU113E, LEU113F, LEU144E, LEU144F, LEU264E, LEU264F, LEU277E, LEU277F, LEU280E, LEU280F, LEU285E, LEU285F, LEU53E, LEU53F, LYS121E, LYS121F, LYS132E, LYS132F, LYS133E, LYS133F, LYS141E, LYS141F, LYS151E, LYS151F, LYS167E, LYS167F, LYS170E, LYS170F, LYS279E, LYS279F, LYS32E, LYS32F, MET174E, MET174F, MET300E, MET300F, MET52E, MET52F, PHE109E, PHE109F, PHE125E, PHE125F, PHE143E, PHE143F, PHE172E, PHE172F, PHE207E, PHE267E, PHE267F, PHE278E, PHE278F, PHE294E, PHE294F, PRO12E, PRO12F, PRO140E, PRO140F, PRO271E, PRO271F, PRO287E, PRO287F, SER128E, SER128F, SER291E, SER291F, SER293E, SER293F, SER54E, SER54F, THR101E, THR101F, THR104E, THR104F, THR115E, THR115F, THR233E, THR233F, THR286E, THR286F, THR51E, THR51F, THR8E, THR8F, THR96E, THR96F, TRP131E, TRP131F, TRP138E, TRP138F, TRP142E, TRP142F, TRP28E, TRP28F, TYR146E, TYR146F, TYR149E, TYR149F, TYR272E, TYR272F, TYR273E, TYR273F, TYR74E, TYR74F, VAL119E, VAL119F, VAL120E, VAL120F, VAL126E, VAL126F, VAL136E, VAL136F, VAL148E, VAL148F, VAL14E, VAL266E, VAL266F, VAL27E, VAL27F, VAL283E, VAL283F, VAL284E, VAL284F, VAL50E, VAL76E, VAL76F, VAL99E, VAL99F