1ONI

crystal structure of a human p14.5, a translational inhibitor reveals different mode of ligand binding near the invariant residues of the yjgf/uk114 protein family

• Total interactions analyzed: 36
• Total true interactions: 19
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 103
  • Norm. En. per Res.: -4.6898
• Hub Node: A(6)

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	-101.7099	-11.0185	-370.321	-483.0495	103	13	21	14671	1	12	9
A-C	-95.9087	-13.7963	-344.124	-453.829	102	16	22	13903	2	10	9
A-D	0.0	0.0	-76.917	-76.917	55	3	1	3415	0	6	3
A-E	-11.5986	0.0	-27.2876	-38.8862	21	1	0	1383	0	4	1
A-G	0.0	0.0	-40.4518	-40.4518	27	0	2	1521	0	0	0
A-I	0.0	0.8498	-7.5768	-6.7269	12	3	0	603	0	2	3
B-C	-102.8836	-10.6704	-353.266	-466.82	102	28	22	14405	1	11	10
B-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	2
B-E	0.0	0.0	-7.7419	-7.7419	18	0	0	544	0	1	2
B-G	-79.5757	1.0643	-146.202	-224.7134	67	11	9	5672	0	10	8
B-I	0.0	0.0	-30.4223	-30.4223	25	1	2	1159	0	0	0
C-E	0.0	0.0	-1.206	-1.206	11	0	0	175	0	2	2
C-G	0.0	0.0	-0.0021	-0.0021	2	0	0	2	0	0	0
D-E	-90.187	-11.6325	-351.377	-453.1965	100	17	22	14227	1	10	10
D-F	-114.321	-14.0484	-340.697	-469.0663	102	22	22	14434	1	11	10
E-F	-100.6195	-15.7926	-327.549	-443.961	103	25	21	14119	1	10	10
G-H	-86.79	-13.3301	-335.053	-435.1731	103	13	22	13915	1	11	10
G-I	-90.6323	-10.2305	-352.635	-453.4979	103	14	21	14063	1	10	9
H-I	-101.3865	-10.9673	-363.316	-475.6698	103	14	22	14600	1	10	9

Interface residues

• A-B: ALA106A, ALA108A, ALA109A, ALA113A, ALA113B, ALA114A, ALA114B, ALA125B, ALA127A, ALA135A, ALA17B, ALA24B, ALA84A, ARG107A, ARG29A, ARG6B, ARG7B, ASN103A, ASN75A, ASN87A, ASN90A, ASN93A, ASP28A, ASP28B, ASP85A, GLN111A, GLN111B, GLN129A, GLN23B, GLN36B, GLN98A, GLU122B, GLU124A, GLU124B, GLU94A, GLY118B, GLY130A, GLY19B, GLY35B, ILE123B, ILE128A, ILE18B, ILE31A, ILE31B, ILE33B, ILE37B, ILE5B, ILE65B, ILE86A, ILE95A, ILE9B, LEU115B, LEU132A, LEU137A, LEU26B, LEU4B, LEU82A, LEU82B, LEU83A, LYS101A, LYS117B, LYS78A, LYS97A, PHE100A, PHE104A, PHE73A, PHE89A, PRO105A, PRO116B, PRO131A, PRO20B, SER102A, SER119B, SER136A, SER22B, SER2B, SER34B, SER3B, THR133A, THR134A, THR30A, THR30B, THR74A, THR79A, THR80A, THR80B, TYR110A, TYR110B, TYR21B, TYR32A, TYR32B, TYR96A, VAL112A, VAL112B, VAL126A, VAL126B, VAL25B, VAL27B, VAL76A, VAL77A, VAL81A, VAL8B, VAL92A
• A-C: ALA106C, ALA108A, ALA108C, ALA109C, ALA113A, ALA113C, ALA114A, ALA114C, ALA125A, ALA127C, ALA135C, ALA17A, ALA24A, ALA84C, ARG107C, ARG29C, ARG6A, ARG7A, ASN103C, ASN75C, ASN87C, ASN93C, ASP28A, ASP28C, ASP72C, ASP85C, GLN111A, GLN111C, GLN129C, GLN23A, GLN36A, GLN98C, GLU122A, GLU124A, GLU124C, GLU94C, GLY118A, GLY130C, GLY19A, GLY35A, ILE123A, ILE128C, ILE18A, ILE31A, ILE31C, ILE33A, ILE37A, ILE5A, ILE86C, ILE95C, ILE9A, LEU115A, LEU132C, LEU26A, LEU4A, LEU82A, LEU82C, LEU83C, LYS101C, LYS117A, LYS78C, LYS97C, PHE100C, PHE104C, PHE73C, PHE89C, PRO105C, PRO116A, PRO131C, PRO20A, SER102C, SER119A, SER22A, SER2A, SER34A, SER3A, THR133C, THR134C, THR30A, THR30C, THR74C, THR79C, THR80A, THR80C, TYR110A, TYR110C, TYR21A, TYR32A, TYR32C, TYR96C, TYR99C, VAL112A, VAL112C, VAL126A, VAL126C, VAL25A, VAL27A, VAL76C, VAL77C, VAL81C, VAL8A, VAL92C
• A-D: ALA113A, ALA12D, ALA14D, ALA17D, ALA24D, ALA52A, ALA84A, ARG120A, ARG6D, ARG7D, ASN87A, ASN90A, ASP40D, ASP85A, ASP88A, GLN111A, GLN23D, GLN45A, GLN45D, GLU53A, GLU54A, GLU94A, GLY118A, GLY16D, GLY19D, GLY44D, GLY49A, GLY50A, ILE18D, ILE86A, ILE95A, ILE9D, LEU46A, LYS117D, LYS13D, LYS56A, MET39D, PHE89A, PRO15D, PRO20D, PRO41D, SER10D, SER119A, SER22D, SER42D, SER43D, SER48A, THR11D, THR91A, TYR21D, VAL25D, VAL47A, VAL51A, VAL8D, VAL92A
• A-E: ALA113A, ALA114A, ALA135E, ALA84A, ARG120A, ASN103E, ASN87A, ASP85A, GLN111A, GLN98E, GLY118A, ILE86A, LEU115A, LEU83A, LYS101E, LYS97E, PHE100E, PHE104E, SER102E, THR134E, VAL112A
• A-G: ALA12G, ALA135A, ALA14G, ALA17G, ASN103A, ASP40G, GLN23G, GLN45G, GLY16G, GLY19G, GLY44G, ILE18G, LEU137A, LYS117G, MET39G, PRO15G, PRO20G, PRO41G, SER10G, SER136A, SER22G, SER42G, SER43G, THR133A, THR134A, TYR21G, VAL8G
• A-I: ASN103A, ASN103I, LYS101A, LYS101I, PHE104A, PHE104I, SER102A, SER102I, THR134A, THR134I, THR74A, THR74I
• B-C: ALA106B, ALA108B, ALA109B, ALA113B, ALA113C, ALA114B, ALA114C, ALA125C, ALA127B, ALA135B, ALA17C, ALA24C, ALA84B, ARG107B, ARG29B, ARG6C, ARG7C, ASN103B, ASN75B, ASN87B, ASN90B, ASN93B, ASP28B, ASP28C, ASP72B, ASP85B, GLN111B, GLN111C, GLN129B, GLN23C, GLN36C, GLN98B, GLU122C, GLU124B, GLU124C, GLU94B, GLY118C, GLY130B, GLY19C, GLY35C, ILE123C, ILE128B, ILE18C, ILE31B, ILE31C, ILE33C, ILE37C, ILE5C, ILE65C, ILE86B, ILE95B, ILE9C, LEU115C, LEU132B, LEU26C, LEU4C, LEU82B, LEU82C, LEU83B, LYS101B, LYS117C, LYS78B, LYS97B, PHE100B, PHE104B, PHE73B, PHE89B, PRO105B, PRO116C, PRO131B, PRO20C, SER102B, SER119C, SER22C, SER2C, SER34C, SER3C, THR133B, THR134B, THR30B, THR30C, THR74B, THR79B, THR80B, THR80C, TYR110B, TYR110C, TYR21C, TYR32B, TYR32C, TYR96B, VAL112B, VAL112C, VAL126B, VAL126C, VAL25C, VAL27C, VAL76B, VAL77B, VAL81B, VAL8C, VAL92B
• B-D: ARG7D, LYS117B
• B-E: ALA113B, ALA114B, ALA135E, ARG120B, ASN103E, GLN111B, GLY118B, LEU115B, LYS101E, LYS117B, LYS97E, PHE100E, PHE104E, SER102E, THR133E, THR134E, THR74E, VAL112B
• B-G: ALA12B, ALA12G, ALA14B, ALA14G, ALA17B, ALA17G, ALA24B, ALA24G, ALA68B, ALA68G, ALA69B, ALA69G, ARG6B, ARG6G, ARG7B, ARG7G, ASP72G, CYS71B, CYS71G, GLN129B, GLN129G, GLN23B, GLN23G, GLU64B, GLU64G, GLY130B, GLY130G, GLY16B, GLY16G, GLY44B, GLY44G, GLY70B, GLY70G, ILE31B, ILE31G, ILE5B, ILE5G, ILE65B, ILE65G, ILE9B, ILE9G, LEU26B, LEU26G, LEU66B, LEU66G, LYS13B, LYS13G, LYS67B, LYS67G, PRO131B, PRO131G, PRO15B, PRO15G, PRO41B, PRO41G, SER10B, SER10G, SER22B, SER22G, SER42B, SER42G, SER43B, SER43G, THR11B, THR11G, VAL8B, VAL8G
• B-I: ALA135I, ALA14B, ALA17B, ASN103I, ASP40B, GLN23B, GLN45B, GLY16B, GLY19B, GLY44B, ILE18B, LYS117B, MET39B, PRO15B, PRO20B, PRO41B, SER10B, SER136I, SER22B, SER42B, SER43B, THR133I, THR134I, TYR21B, VAL8B
• C-E: ALA113C, ALA114C, ASN87C, ASP85C, GLN111C, GLN98E, GLU94E, ILE86C, LYS101E, LYS97E, VAL112C
• C-G: SER2C, SER42G
• D-E: ALA106E, ALA108E, ALA109E, ALA113D, ALA113E, ALA114D, ALA114E, ALA125D, ALA127E, ALA135E, ALA17D, ALA24D, ALA84E, ARG107E, ARG29E, ARG6D, ARG7D, ASN103E, ASN75E, ASN87E, ASN93E, ASP28D, ASP28E, ASP85E, GLN111D, GLN111E, GLN129E, GLN23D, GLN36D, GLN98E, GLU122D, GLU124D, GLU124E, GLU94E, GLY118D, GLY130E, GLY19D, GLY35D, ILE123D, ILE128E, ILE18D, ILE31D, ILE31E, ILE33D, ILE37D, ILE5D, ILE86E, ILE95E, ILE9D, LEU115D, LEU132E, LEU26D, LEU4D, LEU82D, LEU82E, LEU83E, LYS101E, LYS117D, LYS78E, LYS97E, PHE100E, PHE104E, PHE73E, PHE89E, PRO105E, PRO116D, PRO131E, PRO20D, SER102E, SER119D, SER22D, SER2D, SER34D, SER3D, THR133E, THR134E, THR30D, THR30E, THR74E, THR79E, THR80D, THR80E, TYR110D, TYR110E, TYR21D, TYR32D, TYR32E, TYR96E, TYR99E, VAL112D, VAL112E, VAL126D, VAL126E, VAL25D, VAL27D, VAL76E, VAL77E, VAL81E, VAL8D, VAL92E
• D-F: ALA106D, ALA108D, ALA109D, ALA113D, ALA113F, ALA114D, ALA114F, ALA125F, ALA127D, ALA135D, ALA17F, ALA24F, ALA84D, ARG107D, ARG29D, ARG6F, ARG7F, ASN103D, ASN75D, ASN87D, ASN90D, ASN93D, ASP28D, ASP28F, ASP72D, ASP85D, GLN111D, GLN111F, GLN129D, GLN23F, GLN36F, GLN98D, GLU122F, GLU124D, GLU124F, GLU94D, GLY118F, GLY130D, GLY19F, GLY35F, ILE123F, ILE128D, ILE18F, ILE31D, ILE31F, ILE33F, ILE37F, ILE5F, ILE86D, ILE95D, ILE9F, LEU115F, LEU132D, LEU26F, LEU4F, LEU82D, LEU82F, LEU83D, LEU83F, LYS101D, LYS117F, LYS78D, LYS97D, PHE100D, PHE104D, PHE73D, PHE89D, PRO105D, PRO116F, PRO131D, PRO20F, SER102D, SER119F, SER22F, SER2F, SER34F, SER3F, THR133D, THR134D, THR30D, THR30F, THR74D, THR79D, THR80D, THR80F, TYR110D, TYR110F, TYR21F, TYR32D, TYR32F, TYR96D, VAL112D, VAL112F, VAL126D, VAL126F, VAL25F, VAL27F, VAL76D, VAL77D, VAL81D, VAL8F, VAL92D
• E-F: ALA106F, ALA108F, ALA109F, ALA113E, ALA113F, ALA114E, ALA114F, ALA125E, ALA127F, ALA135F, ALA17E, ALA24E, ALA84F, ARG107F, ARG29F, ARG6E, ARG7E, ASN103F, ASN75F, ASN87F, ASN93F, ASP28E, ASP28F, ASP72F, ASP85F, GLN111E, GLN111F, GLN129F, GLN23E, GLN36E, GLN98F, GLU122E, GLU124E, GLU124F, GLU94F, GLY118E, GLY130F, GLY19E, GLY35E, ILE123E, ILE128F, ILE18E, ILE31E, ILE31F, ILE33E, ILE37E, ILE5E, ILE65E, ILE86F, ILE95F, ILE9E, LEU115E, LEU132F, LEU26E, LEU4E, LEU82E, LEU82F, LEU83F, LYS101F, LYS117E, LYS78E, LYS78F, LYS97F, PHE100F, PHE104F, PHE73F, PHE89F, PRO105F, PRO116E, PRO131F, PRO20E, SER102F, SER119E, SER22E, SER2E, SER34E, SER3E, THR133F, THR134F, THR30E, THR30F, THR74F, THR79F, THR80E, THR80F, TYR110E, TYR110F, TYR21E, TYR32E, TYR32F, TYR96F, TYR99F, VAL112E, VAL112F, VAL126E, VAL126F, VAL25E, VAL27E, VAL76F, VAL77F, VAL81F, VAL8E, VAL92F
• G-H: ALA106G, ALA108G, ALA109G, ALA113G, ALA113H, ALA114G, ALA114H, ALA125H, ALA127G, ALA135G, ALA17H, ALA24H, ALA84G, ARG107G, ARG29G, ARG6H, ARG7H, ASN103G, ASN75G, ASN87G, ASN93G, ASP28G, ASP28H, ASP72G, ASP85G, GLN111G, GLN111H, GLN129G, GLN23H, GLN36H, GLN98G, GLU122H, GLU124G, GLU124H, GLU94G, GLY118H, GLY130G, GLY19H, GLY35H, ILE123H, ILE128G, ILE18H, ILE31G, ILE31H, ILE33H, ILE37H, ILE5H, ILE65H, ILE86G, ILE95G, ILE9H, LEU115H, LEU132G, LEU26H, LEU4H, LEU82G, LEU82H, LEU83G, LYS101G, LYS117H, LYS78G, LYS78H, LYS97G, PHE100G, PHE104G, PHE73G, PHE89G, PRO105G, PRO116H, PRO131G, PRO20H, SER102G, SER119H, SER22H, SER2H, SER34H, SER3H, THR133G, THR134G, THR30G, THR30H, THR74G, THR79G, THR80G, THR80H, TYR110G, TYR110H, TYR21H, TYR32G, TYR32H, TYR96G, TYR99G, VAL112G, VAL112H, VAL126G, VAL126H, VAL25H, VAL27H, VAL76G, VAL77G, VAL81G, VAL8H, VAL92G
• G-I: ALA106I, ALA108I, ALA109I, ALA113G, ALA113I, ALA114G, ALA114I, ALA125G, ALA127I, ALA135I, ALA17G, ALA24G, ALA84I, ARG107I, ARG29I, ARG6G, ARG7G, ASN103I, ASN75I, ASN87I, ASN90I, ASN93I, ASP28G, ASP28I, ASP72I, ASP85I, GLN111G, GLN111I, GLN129I, GLN23G, GLN36G, GLN98I, GLU122G, GLU124G, GLU124I, GLU94I, GLY118G, GLY130I, GLY19G, GLY35G, ILE123G, ILE128I, ILE18G, ILE31G, ILE31I, ILE33G, ILE37G, ILE5G, ILE86I, ILE95I, ILE9G, LEU115G, LEU132I, LEU26G, LEU4G, LEU82G, LEU82I, LEU83G, LEU83I, LYS101I, LYS117G, LYS78I, LYS97I, PHE100I, PHE104I, PHE73I, PHE89I, PRO105I, PRO116G, PRO131I, PRO20G, SER102I, SER119G, SER136I, SER22G, SER2G, SER34G, SER3G, THR133I, THR134I, THR30G, THR30I, THR74I, THR79I, THR80G, THR80I, TYR110G, TYR110I, TYR21G, TYR32G, TYR32I, TYR96I, VAL112G, VAL112I, VAL126G, VAL126I, VAL25G, VAL27G, VAL76I, VAL77I, VAL81I, VAL8G, VAL92I
• H-I: ALA106H, ALA108H, ALA109H, ALA113H, ALA113I, ALA114H, ALA114I, ALA125I, ALA127H, ALA135H, ALA17I, ALA24I, ALA84H, ARG107H, ARG29H, ARG6I, ARG7I, ASN103H, ASN75H, ASN87H, ASN90H, ASN93H, ASP28H, ASP28I, ASP72H, ASP85H, GLN111H, GLN111I, GLN129H, GLN23I, GLN36I, GLN98H, GLU122I, GLU124H, GLU124I, GLU94H, GLY118I, GLY130H, GLY19I, GLY35I, ILE123I, ILE128H, ILE18I, ILE31H, ILE31I, ILE33I, ILE37I, ILE5I, ILE86H, ILE95H, ILE9I, LEU115I, LEU132H, LEU26I, LEU4I, LEU82H, LEU82I, LEU83H, LYS101H, LYS117I, LYS78H, LYS97H, PHE100H, PHE104H, PHE73H, PHE89H, PRO105H, PRO116I, PRO131H, PRO20I, SER102H, SER119I, SER136H, SER22I, SER2I, SER34I, SER3I, THR133H, THR134H, THR30H, THR30I, THR74H, THR79H, THR80H, THR80I, TYR110H, TYR110I, TYR21I, TYR32H, TYR32I, TYR96H, TYR99H, VAL112H, VAL112I, VAL126H, VAL126I, VAL25I, VAL27I, VAL76H, VAL77H, VAL81H, VAL8I, VAL92H