2C6Q

crystal structure of human guanosine monophosphate reductase 2 gmpr2 in complex with imp and nadph

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 117
  • Norm. En. per Res.: -5.1764
• 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	-100.2961	-74.1352	-405.448	-579.8793	117	23	6	15527	10	46	34
A-C	-97.8976	-66.0765	-403.393	-567.3671	114	19	6	14967	9	47	33
A-E	0.0	47.6237	-99.4972	-51.8735	50	0	0	5051	1	44	38
A-F	0.0	6.7951	-5.3071	1.488	16	3	0	361	0	12	13
B-D	-89.4178	-86.712	-403.42	-579.5497	115	13	6	14990	13	48	33
B-E	0.0	3.8744	-4.1417	-0.2672	17	0	0	329	0	12	13
B-G	0.0	42.2899	-96.3446	-54.0547	51	1	0	4943	1	45	38
C-D	-88.3947	-62.9401	-393.14	-544.4749	115	22	6	14944	9	46	34
C-F	-10.6697	67.0939	-110.951	-54.5268	54	2	0	5323	2	46	38
C-H	0.0	6.1251	-3.4228	2.7022	16	2	0	300	0	14	13
D-G	0.0	4.6572	-3.4471	1.2101	16	3	0	310	0	12	13
D-H	-5.3182	41.3107	-98.6133	-62.6208	52	1	0	5001	3	46	38
E-F	-105.4612	-69.6757	-398.482	-573.6189	116	13	6	14731	10	47	32
E-G	-104.4738	-82.5686	-301.75	-488.7924	100	24	6	12104	10	36	23
F-H	-78.733	-76.9675	-410.812	-566.5125	119	14	6	15079	12	49	34
G-H	-114.4538	-82.0603	-409.122	-605.6361	117	18	6	15432	10	48	34

Interface residues

• A-B: ALA131A, ALA201A, ALA229B, ALA283A, ALA287A, ARG189A, ARG18B, ARG21B, ARG27B, ARG286A, ARG306B, ARG313B, ARG335A, ARG335B, ASN132A, ASN158A, ASP11A, ASP14A, ASP227B, ASP307B, CYS186A, CYS205A, CYS224B, CYS316B, GLN198A, GLU136A, GLU140A, GLU163A, GLU167A, GLU204A, GLU284A, GLU289A, GLU29B, GLU302B, GLY133A, GLY162A, GLY179A, GLY181A, GLY193A, GLY195A, GLY226B, GLY310B, GLY311B, GLY320B, HIS137A, HIS303B, ILE180A, ILE305B, ILE308B, ILE312B, ILE334B, LEU10A, LEU168A, LEU16B, LEU17B, LEU24B, LEU309B, LEU327B, LEU32B, LYS13A, LYS13B, LYS143A, LYS190A, LYS191A, LYS20B, LYS230B, LYS25B, MET164A, MET244B, MET275A, PHE12B, PHE138A, PHE333B, PHE70B, PRO182A, PRO197A, PRO19B, PRO225B, SER135A, SER171A, SER200A, SER223B, SER22B, SER26B, SER270A, SER288A, SER28B, SER314B, SER9A, THR105A, THR161A, THR187A, THR188A, THR192A, THR23B, THR315B, THR317B, THR331B, THR332B, THR337B, TYR134A, TYR196A, TYR285A, TYR318B, VAL130A, VAL139A, VAL159A, VAL15B, VAL160A, VAL165A, VAL194A, VAL228B, VAL282A, VAL30B, VAL319B, VAL336A, VAL336B
• A-C: ALA131C, ALA201C, ALA229A, ALA283C, ALA287C, ALA321A, ARG189C, ARG18A, ARG21A, ARG27A, ARG286C, ARG306A, ARG313A, ARG335A, ARG335C, ASN132C, ASN158C, ASP11C, ASP14C, ASP227A, ASP307A, CYS186C, CYS224A, CYS316A, GLN198C, GLU136C, GLU140C, GLU163C, GLU167C, GLU204C, GLU284C, GLU289C, GLU29A, GLU302A, GLY133C, GLY162C, GLY179C, GLY181C, GLY193C, GLY195C, GLY226A, GLY310A, GLY311A, GLY320A, HIS137C, HIS303A, ILE180C, ILE305A, ILE308A, ILE312A, ILE334A, LEU10C, LEU168C, LEU16A, LEU17A, LEU24A, LEU309A, LEU327A, LEU32A, LYS13C, LYS143C, LYS190C, LYS191C, LYS20A, LYS230A, LYS25A, MET164C, MET244A, MET275C, PHE12A, PHE138C, PHE333A, PHE70A, PRO182C, PRO197C, PRO19A, PRO225A, SER135C, SER171C, SER200C, SER223A, SER22A, SER26A, SER270C, SER288C, SER28A, SER314A, SER9C, THR105C, THR161C, THR187C, THR188C, THR192C, THR23A, THR315A, THR317A, THR331A, THR332A, TYR134C, TYR196C, TYR285C, TYR318A, VAL130C, VAL139C, VAL159C, VAL15A, VAL160C, VAL165C, VAL194C, VAL228A, VAL282C, VAL30A, VAL319A, VAL336A
• A-E: ARG258A, ARG258E, ASP259A, ASP259E, GLU254A, GLU254E, GLU257A, GLU257E, GLU272A, GLU272E, GLU294A, GLU294E, GLY253A, GLY253E, GLY260A, GLY260E, ILE256A, ILE256E, LEU255A, LEU255E, LEU265A, LEU265E, LYS190E, LYS261A, LYS261E, LYS262A, LYS262E, LYS264A, LYS276A, LYS276E, LYS277A, LYS277E, LYS291A, LYS291E, MET273A, MET273E, PHE266A, PHE266E, SER271A, SER271E, SER288A, THR292A, THR292E, TYR263A, TYR263E, TYR267A, TYR267E, VAL282A, VAL293A, VAL293E
• A-F: GLY260A, GLY260F, GLY299A, GLY299F, HIS303A, HIS303F, LYS261A, LYS261F, LYS262A, LYS262F, LYS298A, LYS298F, PRO296A, PRO296F, TYR263A, TYR263F
• B-D: ALA131B, ALA201B, ALA229D, ALA283B, ALA287B, ARG189B, ARG18D, ARG21D, ARG27D, ARG286B, ARG306D, ARG313D, ARG335B, ARG335D, ASN132B, ASN158B, ASP11B, ASP14B, ASP227D, ASP307D, CYS205B, CYS224D, CYS316D, GLN198B, GLU136B, GLU140B, GLU163B, GLU167B, GLU204B, GLU272B, GLU284B, GLU289B, GLU29D, GLU302D, GLY133B, GLY162B, GLY179B, GLY181B, GLY193B, GLY195B, GLY226D, GLY310D, GLY311D, GLY320D, HIS137B, HIS303D, ILE180B, ILE305D, ILE308D, ILE312D, ILE334D, LEU10B, LEU168B, LEU16D, LEU17D, LEU24D, LEU309D, LEU327D, LEU32D, LYS13B, LYS13D, LYS143B, LYS190B, LYS191B, LYS20D, LYS230D, LYS25D, MET164B, MET244D, MET275B, PHE12D, PHE138B, PHE333D, PHE70D, PRO182B, PRO197B, PRO19D, PRO225D, SER135B, SER171B, SER200B, SER223D, SER22D, SER26D, SER270B, SER288B, SER28D, SER314D, SER9B, THR105B, THR161B, THR187B, THR188B, THR192B, THR23D, THR315D, THR317D, THR331D, THR332D, TYR134B, TYR196B, TYR285B, TYR318D, VAL130B, VAL139B, VAL159B, VAL15D, VAL160B, VAL165B, VAL194B, VAL228D, VAL282B, VAL30D, VAL319D, VAL336D
• B-E: GLU257B, GLY260B, GLY260E, GLY299B, HIS303B, HIS303E, LYS261B, LYS261E, LYS262B, LYS262E, LYS298B, LYS298E, PHE297B, PRO296B, PRO296E, TYR263B, TYR263E
• B-G: ALA274G, ARG258B, ARG258G, ASP259B, ASP259G, GLU254B, GLU254G, GLU257B, GLU257G, GLU272B, GLU272G, GLU294B, GLU294G, GLY253B, GLY253G, GLY260B, GLY260G, ILE256B, ILE256G, LEU255B, LEU255G, LEU265B, LEU265G, LYS261G, LYS262B, LYS262G, LYS264B, LYS264G, LYS276B, LYS276G, LYS277B, LYS277G, LYS291B, LYS291G, MET273B, MET273G, PHE266B, PHE266G, SER271B, SER271G, SER288B, THR292B, THR292G, TYR263B, TYR263G, TYR267B, TYR267G, VAL293B, VAL293G, VAL295B, VAL295G
• C-D: ALA131D, ALA201D, ALA229C, ALA283D, ALA287D, ARG189D, ARG18C, ARG21C, ARG27C, ARG286D, ARG306C, ARG313C, ARG335C, ARG335D, ASN132D, ASN158D, ASP11D, ASP14C, ASP14D, ASP227C, ASP307C, CYS186D, CYS224C, CYS316C, GLN198D, GLU136D, GLU140D, GLU163D, GLU167D, GLU204D, GLU284D, GLU289D, GLU29C, GLU302C, GLY133D, GLY162D, GLY179D, GLY181D, GLY193D, GLY195D, GLY226C, GLY310C, GLY311C, GLY320C, HIS137D, HIS303C, ILE180D, ILE305C, ILE308C, ILE312C, ILE334C, LEU10D, LEU168D, LEU16C, LEU17C, LEU24C, LEU309C, LEU327C, LEU32C, LYS13D, LYS143D, LYS190D, LYS191D, LYS20C, LYS230C, LYS25C, MET164D, MET244C, MET275D, PHE12C, PHE138D, PHE333C, PHE70C, PRO182D, PRO197D, PRO19C, PRO225C, SER135D, SER171D, SER200D, SER223C, SER22C, SER26C, SER270D, SER288D, SER28C, SER314C, SER9D, THR105D, THR161D, THR187D, THR188D, THR192D, THR23C, THR304C, THR315C, THR317C, THR331C, THR332C, TYR134D, TYR196D, TYR285D, TYR318C, VAL130D, VAL139D, VAL159D, VAL15C, VAL160D, VAL165D, VAL194D, VAL228C, VAL282D, VAL30C, VAL319C, VAL336C
• C-F: ALA274C, ARG258C, ARG258F, ASP259C, ASP259F, GLU254C, GLU254F, GLU257C, GLU257F, GLU272C, GLU272F, GLU294C, GLU294F, GLY253C, GLY260C, GLY260F, ILE256C, ILE256F, LEU255C, LEU255F, LEU265C, LEU265F, LYS261C, LYS261F, LYS262C, LYS262F, LYS264C, LYS264F, LYS276C, LYS276F, LYS277C, LYS277F, LYS291C, LYS291F, MET273C, MET273F, PHE266C, PHE266F, PHE297C, SER271C, SER271F, SER288C, SER288F, THR292C, THR292F, TYR263C, TYR263F, TYR267C, TYR267F, VAL282F, VAL293C, VAL293F, VAL295C, VAL295F
• C-H: GLY260C, GLY260H, GLY299C, GLY299H, HIS303C, HIS303H, LYS261C, LYS261H, LYS262C, LYS262H, LYS298C, LYS298H, PRO296C, PRO296H, TYR263C, TYR263H
• D-G: GLY260D, GLY260G, GLY299D, HIS303D, HIS303G, LYS261D, LYS261G, LYS262D, LYS262G, LYS298D, LYS298G, PHE297D, PRO296D, PRO296G, TYR263D, TYR263G
• D-H: ARG258D, ARG258H, ASP259D, ASP259H, GLU254D, GLU254H, GLU257D, GLU257H, GLU272D, GLU272H, GLU294D, GLU294H, GLY253H, GLY260D, GLY260H, GLY290D, ILE256D, ILE256H, LEU255D, LEU255H, LEU265D, LEU265H, LYS191D, LYS261D, LYS261H, LYS262D, LYS262H, LYS264H, LYS276D, LYS276H, LYS277D, LYS277H, LYS291D, LYS291H, MET273D, MET273H, PHE266D, PHE266H, SER249H, SER271D, SER271H, SER288D, THR292D, THR292H, TYR263D, TYR263H, TYR267D, TYR267H, VAL282D, VAL293D, VAL293H, VAL295D
• E-F: ALA131E, ALA201E, ALA229F, ALA283E, ALA287E, ARG189E, ARG18F, ARG21F, ARG27F, ARG286E, ARG306F, ARG313F, ARG335E, ARG335F, ASN132E, ASN158E, ASP11E, ASP14E, ASP14F, ASP227F, ASP307F, CYS186E, CYS205E, CYS224F, CYS316F, GLN198E, GLU136E, GLU140E, GLU163E, GLU167E, GLU204E, GLU284E, GLU289E, GLU29F, GLU302F, GLY106E, GLY133E, GLY162E, GLY179E, GLY181E, GLY193E, GLY195E, GLY226F, GLY310F, GLY311F, GLY320F, HIS137E, HIS303F, ILE180E, ILE305F, ILE308F, ILE312F, ILE334F, LEU10E, LEU168E, LEU16F, LEU17F, LEU24F, LEU309F, LEU327F, LEU32F, LYS13E, LYS143E, LYS190E, LYS191E, LYS20F, LYS230F, LYS25F, MET164E, MET244F, MET275E, PHE12F, PHE138E, PHE333F, PHE70F, PRO182E, PRO197E, PRO19F, PRO225F, SER135E, SER200E, SER223F, SER22F, SER26F, SER270E, SER288E, SER28F, SER314F, SER9E, THR105E, THR161E, THR187E, THR188E, THR192E, THR23F, THR304F, THR315F, THR317F, THR331F, THR332F, TYR134E, TYR196E, TYR285E, TYR318F, VAL130E, VAL139E, VAL159E, VAL15F, VAL160E, VAL165E, VAL194E, VAL228F, VAL282E, VAL30F, VAL319F, VAL336F
• E-G: ALA131G, ALA229E, ALA287G, ARG189G, ARG18E, ARG21E, ARG27E, ARG306E, ARG313E, ARG335E, ASN132G, ASN158G, ASP11G, ASP14E, ASP14G, ASP227E, ASP307E, CYS186G, CYS205G, CYS224E, CYS316E, GLN198G, GLU136G, GLU140G, GLU163G, GLU167G, GLU204G, GLU272G, GLU289G, GLY133G, GLY162G, GLY179G, GLY181G, GLY193G, GLY195G, GLY226E, GLY310E, GLY311E, GLY320E, HIS137G, HIS303E, ILE180G, ILE308E, ILE312E, ILE334E, LEU10G, LEU168G, LEU16E, LEU17E, LEU24E, LEU309E, LEU327E, LYS13G, LYS143G, LYS190G, LYS191G, LYS20E, LYS230E, LYS25E, MET164G, MET244E, PHE12E, PHE138G, PHE333E, PRO182G, PRO197G, PRO19E, PRO225E, SER135G, SER171G, SER200G, SER223E, SER22E, SER26E, SER270G, SER288G, SER314E, SER9G, THR161G, THR187G, THR188G, THR192G, THR23E, THR315E, THR317E, THR331E, THR332E, TYR134G, TYR196G, TYR318E, VAL130G, VAL139G, VAL159G, VAL15E, VAL160G, VAL165G, VAL194G, VAL228E, VAL319E, VAL336E
• F-H: ALA131F, ALA201F, ALA229H, ALA283F, ALA287F, ARG189F, ARG18H, ARG21H, ARG27H, ARG286F, ARG306H, ARG313H, ARG335F, ARG335H, ASN132F, ASN158F, ASP11F, ASP14F, ASP14H, ASP227H, ASP307H, CYS186F, CYS224H, CYS316H, GLN198F, GLU136F, GLU140F, GLU163F, GLU167F, GLU204F, GLU272F, GLU284F, GLU289F, GLU29H, GLU302H, GLY106F, GLY133F, GLY162F, GLY179F, GLY181F, GLY193F, GLY195F, GLY226H, GLY310H, GLY311H, GLY320H, HIS137F, HIS303H, ILE180F, ILE305H, ILE308H, ILE312H, ILE334H, LEU10F, LEU168F, LEU16H, LEU17H, LEU24H, LEU309H, LEU327H, LEU32H, LYS13F, LYS13H, LYS143F, LYS190F, LYS191F, LYS20H, LYS230H, LYS25H, MET164F, MET244H, MET275F, PHE12H, PHE138F, PHE333H, PHE70H, PRO182F, PRO197F, PRO19H, PRO225H, SER107F, SER135F, SER171F, SER200F, SER223H, SER22H, SER26H, SER270F, SER288F, SER28H, SER314H, SER9F, THR105F, THR161F, THR187F, THR188F, THR192F, THR23H, THR304H, THR315H, THR317H, THR331H, THR332H, TYR134F, TYR196F, TYR285F, TYR318H, VAL130F, VAL139F, VAL159F, VAL15H, VAL160F, VAL165F, VAL194F, VAL228H, VAL282F, VAL30H, VAL319H, VAL336H
• G-H: ALA131H, ALA201H, ALA229G, ALA283H, ALA287H, ALA321G, ARG189H, ARG18G, ARG21G, ARG27G, ARG286H, ARG306G, ARG313G, ARG335G, ASN132H, ASN158H, ASP11H, ASP14G, ASP14H, ASP227G, ASP307G, CYS186H, CYS224G, CYS316G, GLN198H, GLU136H, GLU140H, GLU163H, GLU167H, GLU204H, GLU272H, GLU284H, GLU289H, GLU29G, GLY133H, GLY162H, GLY179H, GLY181H, GLY193H, GLY195H, GLY226G, GLY310G, GLY311G, GLY320G, HIS137H, HIS303G, ILE180H, ILE305G, ILE308G, ILE312G, ILE334G, LEU10H, LEU168H, LEU16G, LEU17G, LEU24G, LEU309G, LEU327G, LEU32G, LYS13G, LYS13H, LYS143H, LYS190H, LYS191H, LYS20G, LYS230G, LYS25G, MET164H, MET244G, MET275H, PHE12G, PHE138H, PHE333G, PHE70G, PRO182H, PRO197H, PRO19G, PRO225G, SER135H, SER171H, SER200H, SER223G, SER22G, SER26G, SER270H, SER288H, SER28G, SER314G, SER9H, THR105H, THR161H, THR187H, THR188H, THR192H, THR23G, THR315G, THR317G, THR331G, THR332G, THR337G, TYR134H, TYR196H, TYR285H, TYR318G, VAL130H, VAL139H, VAL159H, VAL15G, VAL160H, VAL165H, VAL194H, VAL228G, VAL282H, VAL30G, VAL319G, VAL336G, VAL336H